4-methyl-3-oxidanylidene-2-phenyl-hexanenitrile

Systemtic Name: 4-methyl-3-oxidanylidene-2-phenyl-hexanenitrile Openeye Name: 4-methyl-3-oxo-2-phenyl-hexanenitrile CAS Name: 4-methyl-3-oxo-2-phenylhexanenitrile IUPAC Name: 4-methyl-3-oxo-2-phenylhexanenitrile Traditional Name: 3-keto-4-methyl-2-phenyl-hexanenitrile Formula: C13H15NO MolecularWeight: 201.2643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO/c1-3-10(2)13(15)12(9-14)11-7-5-4-6-8-11/h4-8,10,12H,3H2,1-2H3