U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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-3-nitrobenzoate

SMILES

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

InChI

InChIKey=CRZGFIMLHZTLGT-UHFFFAOYSA-N
InChI=1S/C9H9NO4/c1-6-7(9(11)14-2)4-3-5-8(6)10(12)13/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 19:36:44 GMT 2025
Edited
by admin
on Wed Apr 02 19:36:44 GMT 2025
Record UNII
K93HM6K2VM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzoic acid, 2-methyl-3-nitro-, methyl esters
Preferred Name English
Methyl 2-methyl-3-nitrobenzoate
Systematic Name English
Code System Code Type Description
CAS
59382-59-1
Created by admin on Wed Apr 02 19:36:44 GMT 2025 , Edited by admin on Wed Apr 02 19:36:44 GMT 2025
PRIMARY
PUBCHEM
601165
Created by admin on Wed Apr 02 19:36:44 GMT 2025 , Edited by admin on Wed Apr 02 19:36:44 GMT 2025
PRIMARY
FDA UNII
K93HM6K2VM
Created by admin on Wed Apr 02 19:36:44 GMT 2025 , Edited by admin on Wed Apr 02 19:36:44 GMT 2025
PRIMARY