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Details

Stereochemistry ACHIRAL
Molecular Formula C9H7NO6
Molecular Weight 225.155
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(Methoxycarbonyl)-4-nitrobenzoic acid

SMILES

COC(=O)C1=CC(=CC=C1[N+]([O-])=O)C(O)=O

InChI

InChIKey=KRACQAXEQJJYLE-UHFFFAOYSA-N
InChI=1S/C9H7NO6/c1-16-9(13)6-4-5(8(11)12)2-3-7(6)10(14)15/h2-4H,1H3,(H,11,12)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3-(Methoxycarbonyl)-4-nitrobenzoic acid
Systematic Name English
1,3-Benzenedicarboxylic acid, 4-nitro-, 3-methyl ester
Preferred Name English
3-Methyl 4-nitro-1,3-benzenedicarboxylate
Systematic Name English
4-Nitro-3-Methoxylcarbonyl benzoic acid
Systematic Name English
3-Methoxycarbonyl-4-nitrobenzoic acid
Systematic Name English
Code System Code Type Description
CAS
64152-09-6
Created by admin on Wed Apr 02 18:55:02 GMT 2025 , Edited by admin on Wed Apr 02 18:55:02 GMT 2025
PRIMARY
EPA CompTox
DTXSID10493227
Created by admin on Wed Apr 02 18:55:02 GMT 2025 , Edited by admin on Wed Apr 02 18:55:02 GMT 2025
PRIMARY
PUBCHEM
12350518
Created by admin on Wed Apr 02 18:55:02 GMT 2025 , Edited by admin on Wed Apr 02 18:55:02 GMT 2025
PRIMARY
FDA UNII
K37WQL25U2
Created by admin on Wed Apr 02 18:55:02 GMT 2025 , Edited by admin on Wed Apr 02 18:55:02 GMT 2025
PRIMARY
NIH
NCATS
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