4,4-dimethyl-3-oxidanylidene-2-(phenylmethyl)pentanenitrile

Systemtic Name: 4,4-dimethyl-3-oxidanylidene-2-(phenylmethyl)pentanenitrile Openeye Name: 2-benzyl-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: 4,4-dimethyl-3-oxo-2-(phenylmethyl)pentanenitrile IUPAC Name: 2-benzyl-4,4-dimethyl-3-oxopentanenitrile Traditional Name: 2-benzyl-3-keto-4,4-dimethyl-valeronitrile Formula: C14H17NO MolecularWeight: 215.29088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO/c1-14(2,3)13(16)12(10-15)9-11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3