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

Systemtic Name: 5-methyl-2-(2-methylphenyl)-3-oxidanylidene-hexanenitrile Openeye Name: 5-methyl-2-(o-tolyl)-3-oxo-hexanenitrile CAS Name: 5-methyl-2-(2-methylphenyl)-3-oxohexanenitrile IUPAC Name: 5-methyl-2-(2-methylphenyl)-3-oxohexanenitrile Traditional Name: 3-keto-5-methyl-2-(o-tolyl)hexanenitrile Formula: C14H17NO MolecularWeight: 215.29088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C#N)C(=O)CC(C)C

Isomeric SMILES

CC1=CC=CC=C1C(C#N)C(=O)CC(C)C

InChI

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