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

Systemtic Name: 4-methyl-2-(2-methylphenyl)-3-oxidanylidene-heptanenitrile Openeye Name: 4-methyl-2-(o-tolyl)-3-oxo-heptanenitrile CAS Name: 4-methyl-2-(2-methylphenyl)-3-oxoheptanenitrile IUPAC Name: 4-methyl-2-(2-methylphenyl)-3-oxoheptanenitrile Traditional Name: 3-keto-4-methyl-2-(o-tolyl)enanthonitrile Formula: C15H19NO MolecularWeight: 229.31746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO/c1-4-7-12(3)15(17)14(10-16)13-9-6-5-8-11(13)2/h5-6,8-9,12,14H,4,7H2,1-3H3