2-ethanoyl-3-methyl-4-oxidanylidene-4-phenyl-butanenitrile

Systemtic Name: 2-ethanoyl-3-methyl-4-oxidanylidene-4-phenyl-butanenitrile Openeye Name: 2-acetyl-3-methyl-4-oxo-4-phenyl-butanenitrile CAS Name: 2-acetyl-3-methyl-4-oxo-4-phenylbutanenitrile IUPAC Name: 2-acetyl-3-methyl-4-oxo-4-phenylbutanenitrile Traditional Name: 2-acetyl-4-keto-3-methyl-4-phenyl-butyronitrile Formula: C13H13NO2 MolecularWeight: 215.24782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO2/c1-9(12(8-14)10(2)15)13(16)11-6-4-3-5-7-11/h3-7,9,12H,1-2H3