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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9NO4
Molecular Weight 195.1721
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Methyl-4-nitrobenzoic acid methyl ester

SMILES

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

InChI

InChIKey=IEFONJKJLZFGKQ-UHFFFAOYSA-N
InChI=1S/C9H9NO4/c1-6-5-7(9(11)14-2)3-4-8(6)10(12)13/h3-5H,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3-Methyl-4-nitrobenzoic acid methyl ester
Systematic Name English
NSC-92763
Preferred Name English
Methyl 3-methyl-4-nitrobenzoate
Systematic Name English
m-Toluic acid, 4-nitro-, methyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
3GD5C89C7D
Created by admin on Wed Apr 02 19:53:14 GMT 2025 , Edited by admin on Wed Apr 02 19:53:14 GMT 2025
PRIMARY
EPA CompTox
DTXSID60946915
Created by admin on Wed Apr 02 19:53:14 GMT 2025 , Edited by admin on Wed Apr 02 19:53:14 GMT 2025
PRIMARY
PUBCHEM
260927
Created by admin on Wed Apr 02 19:53:14 GMT 2025 , Edited by admin on Wed Apr 02 19:53:14 GMT 2025
PRIMARY
CAS
24078-21-5
Created by admin on Wed Apr 02 19:53:14 GMT 2025 , Edited by admin on Wed Apr 02 19:53:14 GMT 2025
PRIMARY
NIH
NCATS
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