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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H10ClNO4
Molecular Weight 315.708
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-CHLORO-5-((1,3-DIOXOISOINDOL-2-YL)METHYL)BENZOIC ACID

SMILES

OC(=O)C1=C(Cl)C=CC(CN2C(=O)C3=C(C=CC=C3)C2=O)=C1

InChI

InChIKey=JFTRMWLFZIDECZ-UHFFFAOYSA-N
InChI=1S/C16H10ClNO4/c17-13-6-5-9(7-12(13)16(21)22)8-18-14(19)10-3-1-2-4-11(10)15(18)20/h1-7H,8H2,(H,21,22)

HIDE SMILES / InChI

Molecular Formula C16H10ClNO4
Molecular Weight 315.708
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 Sat Dec 16 15:44:18 GMT 2023
Edited
by admin
on Sat Dec 16 15:44:18 GMT 2023
Record UNII
V4X37WXB7H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-CHLORO-5-((1,3-DIOXOISOINDOL-2-YL)METHYL)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 2-CHLORO-5-((1,3-DIHYDRO-1,3-DIOXO-2H-ISOINDOL-2-YL)METHYL)-
Systematic Name English
2-CHLORO-5-((1,3-DIHYDRO-1,3-DIOXO-2H-ISOINDOL-2-YL)METHYL)BENZOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
97301791
Created by admin on Sat Dec 16 15:44:18 GMT 2023 , Edited by admin on Sat Dec 16 15:44:18 GMT 2023
PRIMARY
FDA UNII
V4X37WXB7H
Created by admin on Sat Dec 16 15:44:18 GMT 2023 , Edited by admin on Sat Dec 16 15:44:18 GMT 2023
PRIMARY