2-(3-bromophenyl)-4-ethyl-3-oxidanylidene-octanenitrile

Systemtic Name: 2-(3-bromophenyl)-4-ethyl-3-oxidanylidene-octanenitrile Openeye Name: 2-(3-bromophenyl)-4-ethyl-3-oxo-octanenitrile CAS Name: 2-(3-bromophenyl)-4-ethyl-3-oxooctanenitrile IUPAC Name: 2-(3-bromophenyl)-4-ethyl-3-oxooctanenitrile Traditional Name: 2-(3-bromophenyl)-4-ethyl-3-keto-caprylonitrile Formula: C16H20BrNO MolecularWeight: 322.2401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO/c1-3-5-7-12(4-2)16(19)15(11-18)13-8-6-9-14(17)10-13/h6,8-10,12,15H,3-5,7H2,1-2H3