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Details

Stereochemistry ACHIRAL
Molecular Formula C14H14ClNO6
Molecular Weight 327.717
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(Acetylamino)-2-(3-(4-chlorophenyl)-3-oxopropyl)malonic acid

SMILES

CC(=O)NC(CCC(=O)C1=CC=C(Cl)C=C1)(C(O)=O)C(O)=O

InChI

InChIKey=ZAUMEIGSSPFLCB-UHFFFAOYSA-N
InChI=1S/C14H14ClNO6/c1-8(17)16-14(12(19)20,13(21)22)7-6-11(18)9-2-4-10(15)5-3-9/h2-5H,6-7H2,1H3,(H,16,17)(H,19,20)(H,21,22)

HIDE SMILES / InChI

Molecular Formula C14H14ClNO6
Molecular Weight 327.717
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 13:01:30 GMT 2023
Edited
by admin
on Sat Dec 16 13:01:30 GMT 2023
Record UNII
4R48LME9MN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(Acetylamino)-2-(3-(4-chlorophenyl)-3-oxopropyl)malonic acid
Systematic Name English
Malonic acid, acetamido[2-(p-chlorobenzoyl)ethyl]-
Systematic Name English
Propanedioic acid, 2-(acetylamino)-2-[3-(4-chlorophenyl)-3-oxopropyl]-
Systematic Name English
NSC-41358
Code English
Code System Code Type Description
NSC
41358
Created by admin on Sat Dec 16 13:01:30 GMT 2023 , Edited by admin on Sat Dec 16 13:01:30 GMT 2023
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CAS
5887-72-9
Created by admin on Sat Dec 16 13:01:30 GMT 2023 , Edited by admin on Sat Dec 16 13:01:30 GMT 2023
PRIMARY
FDA UNII
4R48LME9MN
Created by admin on Sat Dec 16 13:01:30 GMT 2023 , Edited by admin on Sat Dec 16 13:01:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID40207576
Created by admin on Sat Dec 16 13:01:30 GMT 2023 , Edited by admin on Sat Dec 16 13:01:30 GMT 2023
PRIMARY
PUBCHEM
237659
Created by admin on Sat Dec 16 13:01:30 GMT 2023 , Edited by admin on Sat Dec 16 13:01:30 GMT 2023
PRIMARY