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Details

Stereochemistry ACHIRAL
Molecular Formula C9H8N2O
Molecular Weight 160.1726
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (p-Aminobenzoyl)acetonitrile

SMILES

NC1=CC=C(C=C1)C(=O)CC#N

InChI

InChIKey=BEWGVKVWWKCFHO-UHFFFAOYSA-N
InChI=1S/C9H8N2O/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4H,5,11H2

HIDE SMILES / InChI

Molecular Formula C9H8N2O
Molecular Weight 160.1726
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 11:59:30 GMT 2025
Edited
by admin
on Wed Apr 02 11:59:30 GMT 2025
Record UNII
4G522V38YX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-93771
Preferred Name English
(p-Aminobenzoyl)acetonitrile
Systematic Name English
Acetonitrile, (p-aminobenzoyl)-
Systematic Name English
4-Amino-?-oxobenzenepropanenitrile
Systematic Name English
Benzenepropanenitrile, 4-amino-?-oxo-
Systematic Name English
Code System Code Type Description
NSC
93771
Created by admin on Wed Apr 02 11:59:31 GMT 2025 , Edited by admin on Wed Apr 02 11:59:31 GMT 2025
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EPA CompTox
DTXSID0069331
Created by admin on Wed Apr 02 11:59:31 GMT 2025 , Edited by admin on Wed Apr 02 11:59:31 GMT 2025
PRIMARY
CAS
59443-94-6
Created by admin on Wed Apr 02 11:59:31 GMT 2025 , Edited by admin on Wed Apr 02 11:59:31 GMT 2025
PRIMARY
PUBCHEM
96920
Created by admin on Wed Apr 02 11:59:31 GMT 2025 , Edited by admin on Wed Apr 02 11:59:31 GMT 2025
PRIMARY
FDA UNII
4G522V38YX
Created by admin on Wed Apr 02 11:59:31 GMT 2025 , Edited by admin on Wed Apr 02 11:59:31 GMT 2025
PRIMARY