4-methyl-3-oxidanylidene-4-phenyl-pentanenitrile

Systemtic Name: 4-methyl-3-oxidanylidene-4-phenyl-pentanenitrile Openeye Name: 4-methyl-3-oxo-4-phenyl-pentanenitrile CAS Name: 4-methyl-3-oxo-4-phenylpentanenitrile IUPAC Name: 4-methyl-3-oxo-4-phenylpentanenitrile Traditional Name: 3-keto-4-methyl-4-phenyl-valeronitrile Formula: C12H13NO MolecularWeight: 187.23772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO/c1-12(2,11(14)8-9-13)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3