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-4-nitrobenzoate

SMILES

COC(=O)C1=C(C)C=C(C=C1)[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

Approval Year

Unknown
139594
Name Type Language
Methyl 2-methyl-4-nitrobenzoate
Common Name English
o-Toluic acid, 4-nitro-, methyl ester
Systematic Name English
2-Methyl-4-nitrobenzoic acid 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 Sat Dec 16 19:15:00 GMT 2023 , Edited by admin on Sat Dec 16 19:15:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID70568026
Created by admin on Sat Dec 16 19:15:00 GMT 2023 , Edited by admin on Sat Dec 16 19:15:00 GMT 2023
PRIMARY
FDA UNII
WFH9F997GL
Created by admin on Sat Dec 16 19:15:00 GMT 2023 , Edited by admin on Sat Dec 16 19:15:00 GMT 2023
PRIMARY
CAS
62621-09-4
Created by admin on Sat Dec 16 19:15:00 GMT 2023 , Edited by admin on Sat Dec 16 19:15:00 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966