2-(4-methylphenyl)carbonyl-4-oxidanylidene-4-phenyl-butanenitrile

Systemtic Name: 2-(4-methylphenyl)carbonyl-4-oxidanylidene-4-phenyl-butanenitrile Openeye Name: 2-(4-methylbenzoyl)-4-oxo-4-phenyl-butanenitrile CAS Name: 2-[(4-methylphenyl)-oxomethyl]-4-oxo-4-phenylbutanenitrile IUPAC Name: 2-(4-methylbenzoyl)-4-oxo-4-phenylbutanenitrile Traditional Name: 4-keto-4-phenyl-2-p-toluoyl-butyronitrile Formula: C18H15NO2 MolecularWeight: 277.3172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(CC(=O)C2=CC=CC=C2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(CC(=O)C2=CC=CC=C2)C#N

InChI

InChI=1S/C18H15NO2/c1-13-7-9-15(10-8-13)18(21)16(12-19)11-17(20)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3