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Details

Stereochemistry ACHIRAL
Molecular Formula C13H15Cl2NO3
Molecular Weight 304.169
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[Bis(2-chloroethyl)amino]-?-oxobenzenepropanoic acid

SMILES

OC(=O)C(=O)CC1=CC=C(C=C1)N(CCCl)CCCl

InChI

InChIKey=MGZHFKFYFIKVPL-UHFFFAOYSA-N
InChI=1S/C13H15Cl2NO3/c14-5-7-16(8-6-15)11-3-1-10(2-4-11)9-12(17)13(18)19/h1-4H,5-9H2,(H,18,19)

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-48613
Preferred Name English
4-[Bis(2-chloroethyl)amino]-?-oxobenzenepropanoic acid
Systematic Name English
Benzenepropanoic acid, 4-[bis(2-chloroethyl)amino]-?-oxo-
Systematic Name English
Pyruvic acid, 3-(p-(bis(2-chloroethyl)amino)phenyl)-
Systematic Name English
Pyruvic acid, [p-[bis(2-chloroethyl)amino]phenyl]-
Systematic Name English
Code System Code Type Description
PUBCHEM
96022
Created by admin on Tue Apr 01 19:53:47 GMT 2025 , Edited by admin on Tue Apr 01 19:53:47 GMT 2025
PRIMARY
CAS
4213-31-4
Created by admin on Tue Apr 01 19:53:47 GMT 2025 , Edited by admin on Tue Apr 01 19:53:47 GMT 2025
PRIMARY
NSC
48613
Created by admin on Tue Apr 01 19:53:47 GMT 2025 , Edited by admin on Tue Apr 01 19:53:47 GMT 2025
PRIMARY
FDA UNII
2X9C8XE2AF
Created by admin on Tue Apr 01 19:53:47 GMT 2025 , Edited by admin on Tue Apr 01 19:53:47 GMT 2025
PRIMARY
EPA CompTox
DTXSID30194966
Created by admin on Tue Apr 01 19:53:47 GMT 2025 , Edited by admin on Tue Apr 01 19:53:47 GMT 2025
PRIMARY