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Details

Stereochemistry ACHIRAL
Molecular Formula C15H10BrNO4
Molecular Weight 348.148
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WAY-127039-A-1

SMILES

NC1=C(C=CC=C1C(=O)C2=CC=C(Br)C=C2)C(=O)C(O)=O

InChI

InChIKey=DLNMWZQESQRFLV-UHFFFAOYSA-N
InChI=1S/C15H10BrNO4/c16-9-6-4-8(5-7-9)13(18)10-2-1-3-11(12(10)17)14(19)15(20)21/h1-7H,17H2,(H,20,21)

HIDE SMILES / InChI

Molecular Formula C15H10BrNO4
Molecular Weight 348.148
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 17:54:45 GMT 2025
Edited
by admin
on Wed Apr 02 17:54:45 GMT 2025
Record UNII
2Y29BC4D8N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
WAY127039-A-1
Preferred Name English
WAY-127039-A-1
Common Name English
Benzeneacetic acid, 2-amino-3-(4-bromobenzoyl)-?-oxo-
Systematic Name English
2-Amino-3-(4-bromobenzoyl)-?-oxobenzeneacetic acid
Systematic Name English
2-[2-Amino-3-(4-bromobenzoyl)phenyl]-2-oxoacetic acid
Systematic Name English
Code System Code Type Description
CAS
241825-87-6
Created by admin on Wed Apr 02 17:54:45 GMT 2025 , Edited by admin on Wed Apr 02 17:54:45 GMT 2025
PRIMARY
PUBCHEM
71752992
Created by admin on Wed Apr 02 17:54:45 GMT 2025 , Edited by admin on Wed Apr 02 17:54:45 GMT 2025
PRIMARY
FDA UNII
2Y29BC4D8N
Created by admin on Wed Apr 02 17:54:45 GMT 2025 , Edited by admin on Wed Apr 02 17:54:45 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT