4-methyl-2-(2-methylphenyl)-3-oxidanylidene-hexanenitrile

Systemtic Name: 4-methyl-2-(2-methylphenyl)-3-oxidanylidene-hexanenitrile Openeye Name: 4-methyl-2-(o-tolyl)-3-oxo-hexanenitrile CAS Name: 4-methyl-2-(2-methylphenyl)-3-oxohexanenitrile IUPAC Name: 4-methyl-2-(2-methylphenyl)-3-oxohexanenitrile Traditional Name: 3-keto-4-methyl-2-(o-tolyl)hexanenitrile Formula: C14H17NO MolecularWeight: 215.29088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C(C#N)C1=CC=CC=C1C

Isomeric SMILES

CCC(C)C(=O)C(C#N)C1=CC=CC=C1C

InChI

InChI=1S/C14H17NO/c1-4-10(2)14(16)13(9-15)12-8-6-5-7-11(12)3/h5-8,10,13H,4H2,1-3H3