2-(3-methoxy-4-methyl-phenyl)-3-oxidanylidene-octanenitrile

Systemtic Name: 2-(3-methoxy-4-methyl-phenyl)-3-oxidanylidene-octanenitrile Openeye Name: 2-(3-methoxy-4-methyl-phenyl)-3-oxo-octanenitrile CAS Name: 2-(3-methoxy-4-methylphenyl)-3-oxooctanenitrile IUPAC Name: 2-(3-methoxy-4-methylphenyl)-3-oxooctanenitrile Traditional Name: 3-keto-2-(3-methoxy-4-methyl-phenyl)caprylonitrile Formula: C16H21NO2 MolecularWeight: 259.34344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO2/c1-4-5-6-7-15(18)14(11-17)13-9-8-12(2)16(10-13)19-3/h8-10,14H,4-7H2,1-3H3