4-methyl-5-oxidanylidene-4-phenyl-pentanenitrile

Systemtic Name: 4-methyl-5-oxidanylidene-4-phenyl-pentanenitrile Openeye Name: 4-methyl-5-oxo-4-phenyl-pentanenitrile CAS Name: 4-methyl-5-oxo-4-phenylpentanenitrile IUPAC Name: 4-methyl-5-oxo-4-phenylpentanenitrile Traditional Name: 5-keto-4-methyl-4-phenyl-valeronitrile Formula: C12H13NO MolecularWeight: 187.23772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO/c1-12(10-14,8-5-9-13)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8H2,1H3