5-oxidanylidene-2-(2-phenylpropan-2-yl)pentanenitrile

Systemtic Name: 5-oxidanylidene-2-(2-phenylpropan-2-yl)pentanenitrile Openeye Name: 2-(1-methyl-1-phenyl-ethyl)-5-oxo-pentanenitrile CAS Name: 5-oxo-2-(2-phenylpropan-2-yl)pentanenitrile IUPAC Name: 5-oxo-2-(2-phenylpropan-2-yl)pentanenitrile Traditional Name: 2-cumyl-5-keto-valeronitrile Formula: C14H17NO MolecularWeight: 215.29088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO/c1-14(2,12-7-4-3-5-8-12)13(11-15)9-6-10-16/h3-5,7-8,10,13H,6,9H2,1-2H3