4-methoxy-2-(3-methylphenyl)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-methoxy-2-(3-methylphenyl)-3-oxidanylidene-butanenitrile Openeye Name: 4-methoxy-2-(m-tolyl)-3-oxo-butanenitrile CAS Name: 4-methoxy-2-(3-methylphenyl)-3-oxobutanenitrile IUPAC Name: 4-methoxy-2-(3-methylphenyl)-3-oxobutanenitrile Traditional Name: 3-keto-4-methoxy-2-(m-tolyl)butyronitrile Formula: C12H13NO2 MolecularWeight: 203.23712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C#N)C(=O)COC

Isomeric SMILES

CC1=CC(=CC=C1)C(C#N)C(=O)COC

InChI

InChI=1S/C12H13NO2/c1-9-4-3-5-10(6-9)11(7-13)12(14)8-15-2/h3-6,11H,8H2,1-2H3