2-(3-bromophenyl)-3-oxidanylidene-octanenitrile

Systemtic Name: 2-(3-bromophenyl)-3-oxidanylidene-octanenitrile Openeye Name: 2-(3-bromophenyl)-3-oxo-octanenitrile CAS Name: 2-(3-bromophenyl)-3-oxooctanenitrile IUPAC Name: 2-(3-bromophenyl)-3-oxooctanenitrile Traditional Name: 2-(3-bromophenyl)-3-keto-caprylonitrile Formula: C14H16BrNO MolecularWeight: 294.18694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(C#N)C1=CC(=CC=C1)Br

Isomeric SMILES

CCCCCC(=O)C(C#N)C1=CC(=CC=C1)Br

InChI

InChI=1S/C14H16BrNO/c1-2-3-4-8-14(17)13(10-16)11-6-5-7-12(15)9-11/h5-7,9,13H,2-4,8H2,1H3