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

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 1,3-BENZENEDICARBOXYLIC ACID, 5-NITRO-, 1-METHYL ESTER

SMILES

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

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
1,3-BENZENEDICARBOXYLIC ACID, 5-NITRO-, 1-METHYL ESTER
Systematic Name English
5-NITRO-1,3-BENZENEDICARBOXYLIC ACID METHYL ESTER
Systematic Name English
MONOMETHYL 5-NITROISOPHTHALATE
Common Name English
5-NITROISOPHTHALIC ACID MONOMETHYL ESTER
Common Name English
Code System Code Type Description
PUBCHEM
74776
Created by admin on Sat Dec 16 10:21:17 GMT 2023 , Edited by admin on Sat Dec 16 10:21:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID50883784
Created by admin on Sat Dec 16 10:21:17 GMT 2023 , Edited by admin on Sat Dec 16 10:21:17 GMT 2023
PRIMARY
FDA UNII
V8UVV7P68X
Created by admin on Sat Dec 16 10:21:17 GMT 2023 , Edited by admin on Sat Dec 16 10:21:17 GMT 2023
PRIMARY
CAS
1955-46-0
Created by admin on Sat Dec 16 10:21:17 GMT 2023 , Edited by admin on Sat Dec 16 10:21:17 GMT 2023
PRIMARY
ECHA (EC/EINECS)
217-793-6
Created by admin on Sat Dec 16 10:21:17 GMT 2023 , Edited by admin on Sat Dec 16 10:21:17 GMT 2023
PRIMARY