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.

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136 – 150 of 1,059 results

136

5-Amino-2-nitrobenzoic Acid (Purified) 99.0+%, TCI America™

CAS: 13280-60-9 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.135 MDL Number: MFCD00035748 InChI Key: KZZWQCKYLNIOBT-UHFFFAOYSA-N Synonym: 5-amino-2-nitrobenzoic acid,2-nitro-5-aminobenzoic acid,benzoic acid, 5-amino-2-nitro,3-carboxy-4-nitroaniline,5-amino-2-nitro-benzoic acid,pubchem4983,acmc-1bxcb,intermediates-zcf02020,5-amino-2-nitrobenzoicacid,6-nitro-m-anthranilic acid PubChem CID: 83298 SMILES: C1=CC(=C(C=C1N)C(=O)O)[N+](=O)[O-]

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Specifications

PubChem CID	83298
CAS	13280-60-9
Molecular Weight (g/mol)	182.135
MDL Number	MFCD00035748
SMILES	C1=CC(=C(C=C1N)C(=O)O)[N+](=O)[O-]
Synonym	5-amino-2-nitrobenzoic acid,2-nitro-5-aminobenzoic acid,benzoic acid, 5-amino-2-nitro,3-carboxy-4-nitroaniline,5-amino-2-nitro-benzoic acid,pubchem4983,acmc-1bxcb,intermediates-zcf02020,5-amino-2-nitrobenzoicacid,6-nitro-m-anthranilic acid
InChI Key	KZZWQCKYLNIOBT-UHFFFAOYSA-N
Molecular Formula	C7H6N2O4

137

3,5-Dinitrobenzoic Acid 98.0+%, TCI America™

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

138

4,5-Difluoro-2-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 20372-63-8 Molecular Formula: C7H3F2NO4 Molecular Weight (g/mol): 203.101 MDL Number: MFCD00799521 InChI Key: HGGRAOYTQNFGGN-UHFFFAOYSA-N Synonym: 4,5-difluoro-2-nitrobenzoic acid,4,5-difluoro-2-nitrobenzoicacid,3,4-difluoro-6-nitrobenzoic acid,2-nitro-4,5-difluorobenzoic acid,4,5-difluoro-2-nitro-benzoic acid,benzoic acid, 4,5-difluoro-2-nitro,4,5-difluoro-2-nitrobenzenecarboxylic acid,4,5-two fluoro-2-nitrobenzoic acid,pubchem4947,acmc-1cegm PubChem CID: 4219630 SMILES: C1=C(C(=CC(=C1F)F)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	4219630
CAS	20372-63-8
Molecular Weight (g/mol)	203.101
MDL Number	MFCD00799521
SMILES	C1=C(C(=CC(=C1F)F)[N+](=O)[O-])C(=O)O
Synonym	4,5-difluoro-2-nitrobenzoic acid,4,5-difluoro-2-nitrobenzoicacid,3,4-difluoro-6-nitrobenzoic acid,2-nitro-4,5-difluorobenzoic acid,4,5-difluoro-2-nitro-benzoic acid,benzoic acid, 4,5-difluoro-2-nitro,4,5-difluoro-2-nitrobenzenecarboxylic acid,4,5-two fluoro-2-nitrobenzoic acid,pubchem4947,acmc-1cegm
InChI Key	HGGRAOYTQNFGGN-UHFFFAOYSA-N
Molecular Formula	C7H3F2NO4

139

4-Amino-2-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 610-36-6 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.135 InChI Key: SAJYSJVBNGUWJK-UHFFFAOYSA-N PubChem CID: 235713 SMILES: C1=CC(=C(C=C1N)[N+](=O)[O-])C(=O)O

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PubChem CID	235713
CAS	610-36-6
Molecular Weight (g/mol)	182.135
SMILES	C1=CC(=C(C=C1N)[N+](=O)[O-])C(=O)O
InChI Key	SAJYSJVBNGUWJK-UHFFFAOYSA-N
Molecular Formula	C7H6N2O4

140

3-Nitrosalicylic Acid 98.0+%, TCI America™

CAS: 85-38-1 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.119 MDL Number: MFCD00024240 InChI Key: WWWFHFGUOIQNJC-UHFFFAOYSA-N Synonym: 3-nitrosalicylic acid,2-hydroxy-3-nitrobenzoic acid,benzoic acid, 2-hydroxy-3-nitro,salicylic acid, 3-nitro,2-hydroxy-3-nitro-benzoic acid,3-nitro-salicylsaure,3-nitrosalicyclic acid,wln: wnr bq cvq,acmc-209q5q PubChem CID: 6807 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)O

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Specifications

PubChem CID	6807
CAS	85-38-1
Molecular Weight (g/mol)	183.119
MDL Number	MFCD00024240
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)O
Synonym	3-nitrosalicylic acid,2-hydroxy-3-nitrobenzoic acid,benzoic acid, 2-hydroxy-3-nitro,salicylic acid, 3-nitro,2-hydroxy-3-nitro-benzoic acid,3-nitro-salicylsaure,3-nitrosalicyclic acid,wln: wnr bq cvq,acmc-209q5q
InChI Key	WWWFHFGUOIQNJC-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

141

2-Bromo-3-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 573-54-6 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00074899 InChI Key: WTDJEGSXLFHZPY-UHFFFAOYSA-N Synonym: 2-bromo-3-nitrobenzoic acid,benzoic acid, 2-bromo-3-nitro,2-bromo-3-nitrobenzoicacid,2-bromo-3-nitro-benzoic acid,pubchem4714,acmc-1an8y,ksc273m5t,benzoicacid, 2-bromo-3-nitro,2-bromo-3-nitrobenzoic acid, technical grade PubChem CID: 68452 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Br)C(=O)O

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PubChem CID	68452
CAS	573-54-6
Molecular Weight (g/mol)	246.016
MDL Number	MFCD00074899
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])Br)C(=O)O
Synonym	2-bromo-3-nitrobenzoic acid,benzoic acid, 2-bromo-3-nitro,2-bromo-3-nitrobenzoicacid,2-bromo-3-nitro-benzoic acid,pubchem4714,acmc-1an8y,ksc273m5t,benzoicacid, 2-bromo-3-nitro,2-bromo-3-nitrobenzoic acid, technical grade
InChI Key	WTDJEGSXLFHZPY-UHFFFAOYSA-N
Molecular Formula	C7H4BrNO4

142

4-Nitrobenzoic Acid 99.0+%, TCI America™

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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Specifications

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

143

2-Chloro-4-fluoro-5-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 114776-15-7 Molecular Formula: C7H3ClFNO4 Molecular Weight (g/mol): 219.552 MDL Number: MFCD04115715 InChI Key: SYZKAFCPWNFONG-UHFFFAOYSA-N Synonym: 2-chloro-4-fluoro-5-nitrobenzoic acid,2-chloro-4-fluoro-5-nitro-benzoic acid,benzoic acid, 2-chloro-4-fluoro-5-nitro,benzoic acid,2-chloro-4-fluoro-5-nitro,acmc-2099ln,5-carboxy-4-chloro-2-fluoronitrobenzene,2,2'-bithiophene-5,8'-diylbis trimethylstannane PubChem CID: 7210828 SMILES: C1=C(C(=CC(=C1[N+](=O)[O-])F)Cl)C(=O)O

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Specifications

PubChem CID	7210828
CAS	114776-15-7
Molecular Weight (g/mol)	219.552
MDL Number	MFCD04115715
SMILES	C1=C(C(=CC(=C1[N+](=O)[O-])F)Cl)C(=O)O
Synonym	2-chloro-4-fluoro-5-nitrobenzoic acid,2-chloro-4-fluoro-5-nitro-benzoic acid,benzoic acid, 2-chloro-4-fluoro-5-nitro,benzoic acid,2-chloro-4-fluoro-5-nitro,acmc-2099ln,5-carboxy-4-chloro-2-fluoronitrobenzene,2,2'-bithiophene-5,8'-diylbis trimethylstannane
InChI Key	SYZKAFCPWNFONG-UHFFFAOYSA-N
Molecular Formula	C7H3ClFNO4

144

2-Bromo-5-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 943-14-6 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00134558 InChI Key: UVFWYVCDRKRAJH-UHFFFAOYSA-N Synonym: 2-bromo-5-nitrobenzoic acid,2-bromo-5-nitrobenzic acid,benzoic acid, 2-bromo-5-nitro,2-bromo-5-nitrobenzoicacid,2-bromo-5-nitro benzoic acid,pubchem3821,acmc-209rrc,ksc494m1r,paragos 440009,timtec-bb sbb003179 PubChem CID: 243025 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Br

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PubChem CID	243025
CAS	943-14-6
Molecular Weight (g/mol)	246.016
MDL Number	MFCD00134558
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Br
Synonym	2-bromo-5-nitrobenzoic acid,2-bromo-5-nitrobenzic acid,benzoic acid, 2-bromo-5-nitro,2-bromo-5-nitrobenzoicacid,2-bromo-5-nitro benzoic acid,pubchem3821,acmc-209rrc,ksc494m1r,paragos 440009,timtec-bb sbb003179
InChI Key	UVFWYVCDRKRAJH-UHFFFAOYSA-N
Molecular Formula	C7H4BrNO4

145

Methyl 2-Chloro-4-nitrobenzoate 99.0+%, TCI America™

CAS: 13324-11-3 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.59 MDL Number: MFCD00017013 InChI Key: PICNSXCJRMYANX-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrobenzoic acid methyl ester,methyl2-chloro-4-nitrobenzoate,4-nitro-2-chlorobenzoic acid methyl ester,2-chloro-4-nitro-benzoic acid methyl ester,benzoic acid, 2-chloro-4-nitro-, methyl ester,maybridge1_005088,acmc-1c12v,methyl-2-chloro-4-nitrobenzoate,methyl-4-nitro-2-chlorobenzoate,2-chloro-4-nitrobenzoic acid methylester PubChem CID: 83343 IUPAC Name: methyl 2-chloro-4-nitrobenzoate SMILES: COC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O

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Specifications

PubChem CID	83343
CAS	13324-11-3
Molecular Weight (g/mol)	215.59
MDL Number	MFCD00017013
SMILES	COC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O
Synonym	2-chloro-4-nitrobenzoic acid methyl ester,methyl2-chloro-4-nitrobenzoate,4-nitro-2-chlorobenzoic acid methyl ester,2-chloro-4-nitro-benzoic acid methyl ester,benzoic acid, 2-chloro-4-nitro-, methyl ester,maybridge1_005088,acmc-1c12v,methyl-2-chloro-4-nitrobenzoate,methyl-4-nitro-2-chlorobenzoate,2-chloro-4-nitrobenzoic acid methylester
IUPAC Name	methyl 2-chloro-4-nitrobenzoate
InChI Key	PICNSXCJRMYANX-UHFFFAOYSA-N
Molecular Formula	C8H6ClNO4

146

Dimethyl 4-Nitrophthalate 98.0+%, TCI America™

CAS: 610-22-0 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.18 MDL Number: MFCD00017191 InChI Key: XWBDWELWBUWSNI-UHFFFAOYSA-N Synonym: dimethyl 4-nitrophthalate,dimethyl4-nitrophthalate,4-nitrophthalic acid dimethyl ester,dimethyl-4-nitrophthalate,1,2-benzenedicarboxylic acid, 4-nitro-, dimethyl ester,1,2-dimethyl 4-nitrophthalate,phthalic acid, 4-nitro-, dimethyl ester,1,2-benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester,4-nitrodimethylphthalate,5-nitroisophthyl acid dimethyl ester PubChem CID: 69119 IUPAC Name: 1,2-dimethyl 4-nitrobenzene-1,2-dicarboxylate SMILES: COC(=O)C1=CC=C(C=C1C(=O)OC)[N+]([O-])=O

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Specifications

PubChem CID	69119
CAS	610-22-0
Molecular Weight (g/mol)	239.18
MDL Number	MFCD00017191
SMILES	COC(=O)C1=CC=C(C=C1C(=O)OC)[N+]([O-])=O
Synonym	dimethyl 4-nitrophthalate,dimethyl4-nitrophthalate,4-nitrophthalic acid dimethyl ester,dimethyl-4-nitrophthalate,1,2-benzenedicarboxylic acid, 4-nitro-, dimethyl ester,1,2-dimethyl 4-nitrophthalate,phthalic acid, 4-nitro-, dimethyl ester,1,2-benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester,4-nitrodimethylphthalate,5-nitroisophthyl acid dimethyl ester
IUPAC Name	1,2-dimethyl 4-nitrobenzene-1,2-dicarboxylate
InChI Key	XWBDWELWBUWSNI-UHFFFAOYSA-N
Molecular Formula	C10H9NO6

147

Methyl 2-Bromo-5-nitrobenzoate 98.0+%, TCI America™

CAS: 6942-36-5 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.043 MDL Number: MFCD00010867 InChI Key: VSEYYEKRZNRECT-UHFFFAOYSA-N Synonym: 2-bromo-5-nitrobenzoic acid methyl ester,benzoic acid, 2-bromo-5-nitro-, methyl ester,methyl 2-bromo-5-nitro-benzoate,2-bromo-5-nitro-benzoic acid methyl ester,methyl2-bromo-5-nitrobenzoate,pubchem3971,acmc-1b9le,ksc495k5r,methyl 5-nitro-2-bromobenzoate,methyl-2-bromo-5-nitrobenzoate PubChem CID: 245494 IUPAC Name: methyl 2-bromo-5-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Br

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Specifications

PubChem CID	245494
CAS	6942-36-5
Molecular Weight (g/mol)	260.043
MDL Number	MFCD00010867
SMILES	COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Br
Synonym	2-bromo-5-nitrobenzoic acid methyl ester,benzoic acid, 2-bromo-5-nitro-, methyl ester,methyl 2-bromo-5-nitro-benzoate,2-bromo-5-nitro-benzoic acid methyl ester,methyl2-bromo-5-nitrobenzoate,pubchem3971,acmc-1b9le,ksc495k5r,methyl 5-nitro-2-bromobenzoate,methyl-2-bromo-5-nitrobenzoate
IUPAC Name	methyl 2-bromo-5-nitrobenzoate
InChI Key	VSEYYEKRZNRECT-UHFFFAOYSA-N
Molecular Formula	C8H6BrNO4

148

4-Hydroxy-3-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 616-82-0 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007119 InChI Key: QRYSWXFQLFLJTC-UHFFFAOYSA-N Synonym: 4-hydroxy-3-nitrobenzoic acid,3-nitro-4-hydroxybenzoic acid,benzoic acid, 4-hydroxy-3-nitro,3-nitro-4-hydrobenzoic acid,4-hydroxy-3-nitro-benzoic acid,nhb,pubchem18981,acmc-1auqv,3,4-nitrohydroxybenzoic acid,ksc489q0p PubChem CID: 12033 IUPAC Name: 4-hydroxy-3-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(O)C(=C1)[N+]([O-])=O

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Specifications

PubChem CID	12033
CAS	616-82-0
Molecular Weight (g/mol)	183.12
MDL Number	MFCD00007119
SMILES	OC(=O)C1=CC=C(O)C(=C1)[N+]([O-])=O
Synonym	4-hydroxy-3-nitrobenzoic acid,3-nitro-4-hydroxybenzoic acid,benzoic acid, 4-hydroxy-3-nitro,3-nitro-4-hydrobenzoic acid,4-hydroxy-3-nitro-benzoic acid,nhb,pubchem18981,acmc-1auqv,3,4-nitrohydroxybenzoic acid,ksc489q0p
IUPAC Name	4-hydroxy-3-nitrobenzoic acid
InChI Key	QRYSWXFQLFLJTC-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

149

5-Acetamido-2-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 4368-83-6 Molecular Formula: C9H8N2O5 Molecular Weight (g/mol): 224.172 MDL Number: MFCD00035889 InChI Key: ZSHFMOUMOUOGKI-UHFFFAOYSA-N Synonym: 5-acetamido-2-nitrobenzoic acid,5-acetylamino-2-nitrobenzoic acid,benzoic acid, 5-acetylamino-2-nitro,2-nitro-5-acetylaminobenzoic acid,5-acetamido-2-nitrobenzoicacid,pubchem13220,acmc-209jv7,5-acetamido-2-nitrobenzoic PubChem CID: 78076 ChEBI: CHEBI:86569 SMILES: CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	78076
CAS	4368-83-6
Molecular Weight (g/mol)	224.172
ChEBI	CHEBI:86569
MDL Number	MFCD00035889
SMILES	CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O
Synonym	5-acetamido-2-nitrobenzoic acid,5-acetylamino-2-nitrobenzoic acid,benzoic acid, 5-acetylamino-2-nitro,2-nitro-5-acetylaminobenzoic acid,5-acetamido-2-nitrobenzoicacid,pubchem13220,acmc-209jv7,5-acetamido-2-nitrobenzoic
InChI Key	ZSHFMOUMOUOGKI-UHFFFAOYSA-N
Molecular Formula	C9H8N2O5

150

5-Methoxy-2-nitrobenzoic Acid 97.0+%, TCI America™

CAS: 1882-69-5 Molecular Formula: C8H6NO5 Molecular Weight (g/mol): 196.14 MDL Number: MFCD00151836 InChI Key: URADKXVAIGMTEG-UHFFFAOYSA-M Synonym: 5-methoxy-2-nitrobenzoic acid,2-nitro-5-methoxybenzoic acid,6-nitro-m-anisic acid,5-methoxy-2-nitro-benzoic acid,benzoic acid, 5-methoxy-2-nitro,pubchem4229,acmc-1brd6,2-nitro-5-methoxybenzoate,2-nitro-5-methoxybenzoicacid,5-methoxy-2-nitrobenzoicacid PubChem CID: 339209 IUPAC Name: 5-methoxy-2-nitrobenzoate SMILES: COC1=CC=C(C(=C1)C([O-])=O)[N+]([O-])=O

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Specifications

PubChem CID	339209
CAS	1882-69-5
Molecular Weight (g/mol)	196.14
MDL Number	MFCD00151836
SMILES	COC1=CC=C(C(=C1)C([O-])=O)[N+]([O-])=O
Synonym	5-methoxy-2-nitrobenzoic acid,2-nitro-5-methoxybenzoic acid,6-nitro-m-anisic acid,5-methoxy-2-nitro-benzoic acid,benzoic acid, 5-methoxy-2-nitro,pubchem4229,acmc-1brd6,2-nitro-5-methoxybenzoate,2-nitro-5-methoxybenzoicacid,5-methoxy-2-nitrobenzoicacid
IUPAC Name	5-methoxy-2-nitrobenzoate
InChI Key	URADKXVAIGMTEG-UHFFFAOYSA-M
Molecular Formula	C8H6NO5

Nitrobenzoic acids and derivatives

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