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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H10BrN
Molecular Weight 284.151
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-Bromo-α-(phenylmethylene)benzeneacetonitrile

SMILES

BrC1=CC=CC(=C1)C(=C\C2=CC=CC=C2)\C#N

InChI

InChIKey=UTMZDQWDIFQAAW-NTEUORMPSA-N
InChI=1S/C15H10BrN/c16-15-8-4-7-13(10-15)14(11-17)9-12-5-2-1-3-6-12/h1-10H/b14-9+

HIDE SMILES / InChI

Molecular Formula C15H10BrN
Molecular Weight 284.151
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:45:57 GMT 2023
Edited
by admin
on Sat Dec 16 12:45:57 GMT 2023
Record UNII
9867HE8USJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Bromo-α-(phenylmethylene)benzeneacetonitrile
Systematic Name English
(2Z)-2-(3-Bromophenyl)-3-phenyl-2-propenenitrile
Systematic Name English
(αZ)-3-Bromo-α-(phenylmethylene)benzeneacetonitrile
Systematic Name English
2-(3-bromophenyl)-3-phenylprop-2-enenitrile, (Z)-
Systematic Name English
NSC-405107
Code English
Benzeneacetonitrile, 3-bromo-α-(phenylmethylene)-, (αZ)-
Systematic Name English
2-(3-BROMOPHENYL)-3-PHENYLACRYLONITRILE
Systematic Name English
Code System Code Type Description
PUBCHEM
5915329
Created by admin on Sat Dec 16 12:45:57 GMT 2023 , Edited by admin on Sat Dec 16 12:45:57 GMT 2023
PRIMARY
CAS
7496-20-0
Created by admin on Sat Dec 16 12:45:57 GMT 2023 , Edited by admin on Sat Dec 16 12:45:57 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
947274-07-9
Created by admin on Sat Dec 16 12:45:57 GMT 2023 , Edited by admin on Sat Dec 16 12:45:57 GMT 2023
PRIMARY
FDA UNII
9867HE8USJ
Created by admin on Sat Dec 16 12:45:57 GMT 2023 , Edited by admin on Sat Dec 16 12:45:57 GMT 2023
PRIMARY
NSC
405107
Created by admin on Sat Dec 16 12:45:57 GMT 2023 , Edited by admin on Sat Dec 16 12:45:57 GMT 2023
PRIMARY