4-ethyl-2-(2-methylphenyl)-3-oxidanylidene-octanenitrile

Systemtic Name: 4-ethyl-2-(2-methylphenyl)-3-oxidanylidene-octanenitrile Openeye Name: 4-ethyl-2-(o-tolyl)-3-oxo-octanenitrile CAS Name: 4-ethyl-2-(2-methylphenyl)-3-oxooctanenitrile IUPAC Name: 4-ethyl-2-(2-methylphenyl)-3-oxooctanenitrile Traditional Name: 4-ethyl-3-keto-2-(o-tolyl)caprylonitrile Formula: C17H23NO MolecularWeight: 257.37062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO/c1-4-6-10-14(5-2)17(19)16(12-18)15-11-8-7-9-13(15)3/h7-9,11,14,16H,4-6,10H2,1-3H3