Nitrobenzoic acids and derivatives

Organic compounds that consist of benzoic acid with a nitro group substitution; a nitro group has a nitrogen atom bonded to two oxygen groups in a single and a double bond. Includes compounds that are directly derived from nitrobenzoic acid.

1 – 15 of 188 results

4-Nitrobenzoic acid, 99+%, Thermo Scientific Chemicals

CAS: 62-23-7 Molecular Formula: C₇H₅NO₄ Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007352 InChI Key: OTLNPYWUJOZPPA-UHFFFAOYSA-N Synonym: 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova PubChem CID: 6108 ChEBI: CHEBI:262350 SMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

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PubChem CID	6108
CAS	62-23-7
Molecular Weight (g/mol)	167.12
ChEBI	CHEBI:262350
MDL Number	MFCD00007352
SMILES	C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
Synonym	4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova
InChI Key	OTLNPYWUJOZPPA-UHFFFAOYSA-N
Molecular Formula	C₇H₅NO₄

5,5'-Dithiobis(2-nitrobenzoic acid), 99%, Thermo Scientific Chemicals

CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 MDL Number: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid PubChem CID: 6254 ChEBI: CHEBI:86228 IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O

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Specifications

PubChem CID	6254
CAS	69-78-3
Molecular Weight (g/mol)	396.34
ChEBI	CHEBI:86228
MDL Number	MFCD00007140
SMILES	OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
Synonym	dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid
IUPAC Name	5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
InChI Key	KIUMMUBSPKGMOY-UHFFFAOYSA-N
Molecular Formula	C14H8N2O8S2

3-Nitrobenzoic acid, 99%, Thermo Scientific Chemicals

CAS: 121-92-6 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007251 InChI Key: AFPHTEQTJZKQAQ-UHFFFAOYSA-N Synonym: 3-nitrobenzoic acid,m-nitrobenzoic acid,benzoic acid, 3-nitro,benzoic acid, m-nitro,meta-nitrobenzoic acid,metanitrobenzoic acid,m-nitrobenzenecarboxylic acid,3-nitro-benzoic acid,ccris 2335,nitrobenzoic 3-acid PubChem CID: 8497 SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O

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PubChem CID	8497
CAS	121-92-6
Molecular Weight (g/mol)	167.12
MDL Number	MFCD00007251
SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
Synonym	3-nitrobenzoic acid,m-nitrobenzoic acid,benzoic acid, 3-nitro,benzoic acid, m-nitro,meta-nitrobenzoic acid,metanitrobenzoic acid,m-nitrobenzenecarboxylic acid,3-nitro-benzoic acid,ccris 2335,nitrobenzoic 3-acid
InChI Key	AFPHTEQTJZKQAQ-UHFFFAOYSA-N
Molecular Formula	C7H5NO4

5,5'-Dithiobis-(2-nitrobenzoic acid), 99%, Thermo Scientific Chemicals

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PubChem CID	6254
CAS	69-78-3
Molecular Weight (g/mol)	396.34
ChEBI	CHEBI:86228
MDL Number	MFCD00007140
SMILES	OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
Synonym	dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid
IUPAC Name	5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
InChI Key	KIUMMUBSPKGMOY-UHFFFAOYSA-N
Molecular Formula	C14H8N2O8S2

5-Nitrosalicylic acid, 98%, Thermo Scientific Chemicals

CAS: 96-97-9 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.119 MDL Number: MFCD00007338 InChI Key: PPDRLQLKHRZIJC-UHFFFAOYSA-N Synonym: 5-nitrosalicylic acid,2-hydroxy-5-nitrobenzoic acid,anilotic acid,benzoic acid, 2-hydroxy-5-nitro,5-nitro-2-hydroxybenzoic acid,unii-82l9g7fyz3,2-hydroxy-5-nitro-benzoic acid,5-nitro-salicylic acid,salicylic acid, 5-nitro,5-nitro salicylic acid PubChem CID: 7318 ChEBI: CHEBI:61281 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O

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Specifications

PubChem CID	7318
CAS	96-97-9
Molecular Weight (g/mol)	183.119
ChEBI	CHEBI:61281
MDL Number	MFCD00007338
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O
Synonym	5-nitrosalicylic acid,2-hydroxy-5-nitrobenzoic acid,anilotic acid,benzoic acid, 2-hydroxy-5-nitro,5-nitro-2-hydroxybenzoic acid,unii-82l9g7fyz3,2-hydroxy-5-nitro-benzoic acid,5-nitro-salicylic acid,salicylic acid, 5-nitro,5-nitro salicylic acid
InChI Key	PPDRLQLKHRZIJC-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

Methyl 3-nitrobenzoate, 98%, Thermo Scientific Chemicals

CAS: 618-95-1 Molecular Formula: C₈H₇NO₄ Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007250 InChI Key: AXLYJLKKPUICKV-UHFFFAOYSA-N Synonym: 3-nitrobenzoic acid methyl ester,methyl m-nitrobenzoate,methyl3-nitrobenzoate,benzoic acid, 3-nitro-, methyl ester,m-nitrobenzoic acid, methyl ester,benzoic acid, m-nitro-, methyl ester,3-nitro-benzoic acid methyl ester,3-nitro-benzoicacimethylester,acmc-209mxc,methyl 3-nitro-benzoate PubChem CID: 69260 IUPAC Name: methyl 3-nitrobenzoate SMILES: COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

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Specifications

PubChem CID	69260
CAS	618-95-1
Molecular Weight (g/mol)	181.15
MDL Number	MFCD00007250
SMILES	COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
Synonym	3-nitrobenzoic acid methyl ester,methyl m-nitrobenzoate,methyl3-nitrobenzoate,benzoic acid, 3-nitro-, methyl ester,m-nitrobenzoic acid, methyl ester,benzoic acid, m-nitro-, methyl ester,3-nitro-benzoic acid methyl ester,3-nitro-benzoicacimethylester,acmc-209mxc,methyl 3-nitro-benzoate
IUPAC Name	methyl 3-nitrobenzoate
InChI Key	AXLYJLKKPUICKV-UHFFFAOYSA-N
Molecular Formula	C₈H₇NO₄

2-Chloro-5-nitrobenzoic Acid, 99+%, Thermo Scientific Chemicals

CAS: 2516-96-3 Molecular Formula: C₇H₄ClNO₄ Molecular Weight (g/mol): 201.56 MDL Number: MFCD00007294 InChI Key: QUEKGYQTRJVEQC-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzoic acid,benzoic acid, 2-chloro-5-nitro,6-chloro-3-nitrobenzoic acid,2-chloro-5-nitro-benzoic acid,2-chloro-5-nitrobenzoicacid,mesalamine impurity m,pubchem13682,acmc-1cb0i,2-chloro-5-nitrobenzic acid,5-nitro-2-chlorobenzoic acid PubChem CID: 17287 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

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Specifications

PubChem CID	17287
CAS	2516-96-3
Molecular Weight (g/mol)	201.56
MDL Number	MFCD00007294
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl
Synonym	2-chloro-5-nitrobenzoic acid,benzoic acid, 2-chloro-5-nitro,6-chloro-3-nitrobenzoic acid,2-chloro-5-nitro-benzoic acid,2-chloro-5-nitrobenzoicacid,mesalamine impurity m,pubchem13682,acmc-1cb0i,2-chloro-5-nitrobenzic acid,5-nitro-2-chlorobenzoic acid
InChI Key	QUEKGYQTRJVEQC-UHFFFAOYSA-N
Molecular Formula	C₇H₄ClNO₄

3,5-Dinitrobenzoic acid, 98+%, Thermo Scientific Chemicals

CAS: 99-34-3 Molecular Formula: C7H4N2O6 Molecular Weight (g/mol): 212.12 MDL Number: MFCD00007253 InChI Key: VYWYYJYRVSBHJQ-UHFFFAOYSA-N Synonym: 3,5-dinitrobenzoic acid,dinitrobenzoic acid,dnba,benzoic acid, 3,5-dinitro,3-carboxy-1,5-dinitrobenzene,3,5-dinitro-benzoic acid,unii-4v3f9q018p,ccris 3129,3,5-dnba,3,5-dinitrobenzenecarboxylic acid PubChem CID: 7433 ChEBI: CHEBI:73914 IUPAC Name: 3,5-dinitrobenzoic acid SMILES: OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O

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Specifications

PubChem CID	7433
CAS	99-34-3
Molecular Weight (g/mol)	212.12
ChEBI	CHEBI:73914
MDL Number	MFCD00007253
SMILES	OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O
Synonym	3,5-dinitrobenzoic acid,dinitrobenzoic acid,dnba,benzoic acid, 3,5-dinitro,3-carboxy-1,5-dinitrobenzene,3,5-dinitro-benzoic acid,unii-4v3f9q018p,ccris 3129,3,5-dnba,3,5-dinitrobenzenecarboxylic acid
IUPAC Name	3,5-dinitrobenzoic acid
InChI Key	VYWYYJYRVSBHJQ-UHFFFAOYSA-N
Molecular Formula	C7H4N2O6

Nitroterephthalic acid, 99+%, Thermo Scientific Chemicals

CAS: 610-29-7 Molecular Formula: C₈H₅NO₆ Molecular Weight (g/mol): 211.13 MDL Number: MFCD00007141 InChI Key: QUMITRDILMWWBC-UHFFFAOYSA-N Synonym: nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u PubChem CID: 69122 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	69122
CAS	610-29-7
Molecular Weight (g/mol)	211.13
MDL Number	MFCD00007141
SMILES	C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
Synonym	nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u
InChI Key	QUMITRDILMWWBC-UHFFFAOYSA-N
Molecular Formula	C₈H₅NO₆

5-Hydroxy-2-nitrobenzoic acid, Thermo Scientific™

CAS: 610-37-7 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.119 MDL Number: MFCD00017566 InChI Key: BUHKQTKKZAXSMH-UHFFFAOYSA-N PubChem CID: 11882 SMILES: C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-]

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Specifications

PubChem CID	11882
CAS	610-37-7
Molecular Weight (g/mol)	183.119
MDL Number	MFCD00017566
SMILES	C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-]
InChI Key	BUHKQTKKZAXSMH-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

2-Chloro-4-nitrobenzoic acid, 98%, Thermo Scientific Chemicals

CAS: 99-60-5 Molecular Formula: C₇H₄ClNO₄ Molecular Weight (g/mol): 201.57 MDL Number: MFCD00007209 InChI Key: QAYNSPOKTRVZRC-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrobenzoic acid,benzoic acid, 2-chloro-4-nitro,kyselina 2-chloro-4-nitrobenzoova,kyselina 2-chloro-4-nitrobenzoova czech,2-chloro-4-nitrobenzoic,2-chloro-4-nitro-benzoic acid,2-chloro-4-nitro benzoic acid,2-chloro-4-nitrobenzoicacid,pubchem20257,acmc-209sde PubChem CID: 7448 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)O

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Specifications

PubChem CID	7448
CAS	99-60-5
Molecular Weight (g/mol)	201.57
MDL Number	MFCD00007209
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)O
Synonym	2-chloro-4-nitrobenzoic acid,benzoic acid, 2-chloro-4-nitro,kyselina 2-chloro-4-nitrobenzoova,kyselina 2-chloro-4-nitrobenzoova czech,2-chloro-4-nitrobenzoic,2-chloro-4-nitro-benzoic acid,2-chloro-4-nitro benzoic acid,2-chloro-4-nitrobenzoicacid,pubchem20257,acmc-209sde
InChI Key	QAYNSPOKTRVZRC-UHFFFAOYSA-N
Molecular Formula	C₇H₄ClNO₄

2,6-Dimethoxy-3-nitrobenzoic acid, 97%, Thermo Scientific Chemicals

CAS: 55776-17-5 Molecular Formula: C9H9NO6 Molecular Weight (g/mol): 227.172 MDL Number: MFCD00017324 InChI Key: YIKBQFPTPKEFSM-UHFFFAOYSA-N Synonym: 2,6-dimethoxy-3-nitro-benzoic acid,acmc-20ao8d,benzoic acid, 2,6-dimethoxy-3-nitro PubChem CID: 3085094 IUPAC Name: 2,6-dimethoxy-3-nitrobenzoic acid SMILES: COC1=C(C(=C(C=C1)[N+](=O)[O-])OC)C(=O)O

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Specifications

PubChem CID	3085094
CAS	55776-17-5
Molecular Weight (g/mol)	227.172
MDL Number	MFCD00017324
SMILES	COC1=C(C(=C(C=C1)[N+](=O)[O-])OC)C(=O)O
Synonym	2,6-dimethoxy-3-nitro-benzoic acid,acmc-20ao8d,benzoic acid, 2,6-dimethoxy-3-nitro
IUPAC Name	2,6-dimethoxy-3-nitrobenzoic acid
InChI Key	YIKBQFPTPKEFSM-UHFFFAOYSA-N
Molecular Formula	C9H9NO6

Methyl 2-fluoro-5-nitrobenzoate, 98%, Thermo Scientific Chemicals

CAS: 2965-22-2 Molecular Formula: C8H6FNO4 Molecular Weight (g/mol): 199.137 MDL Number: MFCD06203689 InChI Key: JZLONOOYIXEAHM-UHFFFAOYSA-N Synonym: methyl 2-fluoro-5-nitrobenzenecarboxylate,2-fluoro-5-nitrobenzoic acid methyl ester,5-nitro-2-fluorobenzoic acid methyl ester,benzoicacid, 2-fluoro-5-nitro-, methyl ester,benzoic acid, 2-fluoro-5-nitro-, methyl ester,methyl 2-fluoro-5-nitro-benzoate,acmc-209ha6,ksc563m1n,methyl2-fluoro-5-nitrobenzoate,4-fluoro-3-methoxycarbonyl nitrobenzene PubChem CID: 11217860 IUPAC Name: methyl 2-fluoro-5-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F

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Specifications

PubChem CID	11217860
CAS	2965-22-2
Molecular Weight (g/mol)	199.137
MDL Number	MFCD06203689
SMILES	COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F
Synonym	methyl 2-fluoro-5-nitrobenzenecarboxylate,2-fluoro-5-nitrobenzoic acid methyl ester,5-nitro-2-fluorobenzoic acid methyl ester,benzoicacid, 2-fluoro-5-nitro-, methyl ester,benzoic acid, 2-fluoro-5-nitro-, methyl ester,methyl 2-fluoro-5-nitro-benzoate,acmc-209ha6,ksc563m1n,methyl2-fluoro-5-nitrobenzoate,4-fluoro-3-methoxycarbonyl nitrobenzene
IUPAC Name	methyl 2-fluoro-5-nitrobenzoate
InChI Key	JZLONOOYIXEAHM-UHFFFAOYSA-N
Molecular Formula	C8H6FNO4

3-Hydroxy-2-nitrobenzoic acid, 98+%, Thermo Scientific Chemicals

CAS: 602-00-6 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.119 MDL Number: MFCD00017003 InChI Key: KPDBKQKRDJPBRM-UHFFFAOYSA-N Synonym: 3-hydroxy-2-nitrobenzoic acid,3-hydroxy-2-nitrobenzoicacid,3-hydroxy-2-nitro-benzoic acid,2-nitro-3-hydroxybenzoic acid,pubchem8846,nitro-m-oxybenzoesaure,benzoic acid, hydroxynitro,ksc288q8j,acmc-1b214,2-nitro-3-oxidanyl-benzoic acid PubChem CID: 293291 SMILES: C1=CC(=C(C(=C1)O)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	293291
CAS	602-00-6
Molecular Weight (g/mol)	183.119
MDL Number	MFCD00017003
SMILES	C1=CC(=C(C(=C1)O)[N+](=O)[O-])C(=O)O
Synonym	3-hydroxy-2-nitrobenzoic acid,3-hydroxy-2-nitrobenzoicacid,3-hydroxy-2-nitro-benzoic acid,2-nitro-3-hydroxybenzoic acid,pubchem8846,nitro-m-oxybenzoesaure,benzoic acid, hydroxynitro,ksc288q8j,acmc-1b214,2-nitro-3-oxidanyl-benzoic acid
InChI Key	KPDBKQKRDJPBRM-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

Methyl 4,5-dimethoxy-2-nitrobenzoate, 97%, Thermo Scientific Chemicals

CAS: 26791-93-5 Molecular Formula: C10H11NO6 Molecular Weight (g/mol): 241.199 MDL Number: MFCD00007239 InChI Key: SYYKLKHBZGFKOC-UHFFFAOYSA-N Synonym: methyl 6-nitroveratrate,benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester,6-nitroveratric acid methyl ester,4,5-dimethoxy-2-nitrobenzoic acid, methyl ester,methyl 4,5-dimethoxy-2-nitro-benzoate,acmc-1cptq,ksc496m9r,methyl 3,4-dimethoxy-6-nitrobenzoate,methyl 3,4-dimethoxy-6-nitro-benzoate,methyl 4,5-dimethoxy-2-nitrobenzoate PubChem CID: 117867 IUPAC Name: methyl 4,5-dimethoxy-2-nitrobenzoate SMILES: COC1=C(C=C(C(=C1)C(=O)OC)[N+](=O)[O-])OC

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Specifications

PubChem CID	117867
CAS	26791-93-5
Molecular Weight (g/mol)	241.199
MDL Number	MFCD00007239
SMILES	COC1=C(C=C(C(=C1)C(=O)OC)[N+](=O)[O-])OC
Synonym	methyl 6-nitroveratrate,benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester,6-nitroveratric acid methyl ester,4,5-dimethoxy-2-nitrobenzoic acid, methyl ester,methyl 4,5-dimethoxy-2-nitro-benzoate,acmc-1cptq,ksc496m9r,methyl 3,4-dimethoxy-6-nitrobenzoate,methyl 3,4-dimethoxy-6-nitro-benzoate,methyl 4,5-dimethoxy-2-nitrobenzoate
IUPAC Name	methyl 4,5-dimethoxy-2-nitrobenzoate
InChI Key	SYYKLKHBZGFKOC-UHFFFAOYSA-N
Molecular Formula	C10H11NO6

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Nitrobenzoic acids and derivatives

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