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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 Methyl 2-methyl-4-nitrobenzoate

SMILES

COC(=O)C1=CC=C(C=C1C)[N+]([O-])=O

InChI

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

HIDE SMILES / InChI

Molecular Formula C9H9NO4
Molecular Weight 195.1721
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 14:28:39 GMT 2025
Edited
by admin
on Wed Apr 02 14:28:39 GMT 2025
Record UNII
WFH9F997GL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 2-methyl-4-nitrobenzoate
Common Name English
2-Methyl-4-nitrobenzoic acid methyl ester
Preferred Name English
o-Toluic acid, 4-nitro-, methyl ester
Systematic Name English
Benzoic acid, 2-methyl-4-nitro-, methyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
15088700
Created by admin on Wed Apr 02 14:28:39 GMT 2025 , Edited by admin on Wed Apr 02 14:28:39 GMT 2025
PRIMARY
EPA CompTox
DTXSID70568026
Created by admin on Wed Apr 02 14:28:39 GMT 2025 , Edited by admin on Wed Apr 02 14:28:39 GMT 2025
PRIMARY
FDA UNII
WFH9F997GL
Created by admin on Wed Apr 02 14:28:39 GMT 2025 , Edited by admin on Wed Apr 02 14:28:39 GMT 2025
PRIMARY
CAS
62621-09-4
Created by admin on Wed Apr 02 14:28:39 GMT 2025 , Edited by admin on Wed Apr 02 14:28:39 GMT 2025
PRIMARY