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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H13NO8
Molecular Weight 311.2442
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-Dimethyl 2-[4-(methoxycarbonyl)-2-nitrophenyl]propanedioate

SMILES

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

InChI

InChIKey=PMCBNFSIKVRNNK-UHFFFAOYSA-N
InChI=1S/C13H13NO8/c1-20-11(15)7-4-5-8(9(6-7)14(18)19)10(12(16)21-2)13(17)22-3/h4-6,10H,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
Propanedioic acid, 2-[4-(methoxycarbonyl)-2-nitrophenyl]-, 1,3-dimethyl ester
Preferred Name English
1,3-Dimethyl 2-[4-(methoxycarbonyl)-2-nitrophenyl]propanedioate
Systematic Name English
Code System Code Type Description
PUBCHEM
58400442
Created by admin on Wed Apr 02 19:14:28 GMT 2025 , Edited by admin on Wed Apr 02 19:14:28 GMT 2025
PRIMARY
FDA UNII
LDL9PAW3C2
Created by admin on Wed Apr 02 19:14:28 GMT 2025 , Edited by admin on Wed Apr 02 19:14:28 GMT 2025
PRIMARY
CAS
1160293-27-5
Created by admin on Wed Apr 02 19:14:28 GMT 2025 , Edited by admin on Wed Apr 02 19:14:28 GMT 2025
PRIMARY