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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H11NO
Molecular Weight 221.2539
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3-BENZOYLPHENYL)ETHANENITRILE

SMILES

O=C(C1=CC=CC=C1)C2=CC(CC#N)=CC=C2

InChI

InChIKey=MHKMCTCMEDUINO-UHFFFAOYSA-N
InChI=1S/C15H11NO/c16-10-9-12-5-4-8-14(11-12)15(17)13-6-2-1-3-7-13/h1-8,11H,9H2

HIDE SMILES / InChI

Molecular Formula C15H11NO
Molecular Weight 221.2539
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 Thu Jul 06 15:31:21 UTC 2023
Edited
by admin
on Thu Jul 06 15:31:21 UTC 2023
Record UNII
Y444TA4HYW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3-BENZOYLPHENYL)ETHANENITRILE
Systematic Name English
3-(CYANOMETHYL)BENZOPHENONE
Systematic Name English
ACETONITRILE, (M-BENZOYLPHENYL)-
Systematic Name English
M-BENZOYLPHENYLACETONITRILE
Systematic Name English
KETOPROFEN IMPURITY I [EP IMPURITY]
Common Name English
BENZENEACETONITRILE, 3-BENZOYL-
Systematic Name English
RU-5029
Code English
3-BENZOYLBENZENEACETONITRILE
Systematic Name English
Code System Code Type Description
PUBCHEM
88857
Created by admin on Thu Jul 06 15:31:21 UTC 2023 , Edited by admin on Thu Jul 06 15:31:21 UTC 2023
PRIMARY
FDA UNII
Y444TA4HYW
Created by admin on Thu Jul 06 15:31:21 UTC 2023 , Edited by admin on Thu Jul 06 15:31:21 UTC 2023
PRIMARY
EPA CompTox
DTXSID50175555
Created by admin on Thu Jul 06 15:31:21 UTC 2023 , Edited by admin on Thu Jul 06 15:31:21 UTC 2023
PRIMARY
CAS
21288-34-6
Created by admin on Thu Jul 06 15:31:21 UTC 2023 , Edited by admin on Thu Jul 06 15:31:21 UTC 2023
PRIMARY
ECHA (EC/EINECS)
244-315-3
Created by admin on Thu Jul 06 15:31:21 UTC 2023 , Edited by admin on Thu Jul 06 15:31:21 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
EP