5-ethoxy-2-(2-methylphenyl)-3-oxidanylidene-pentanenitrile

Systemtic Name: 5-ethoxy-2-(2-methylphenyl)-3-oxidanylidene-pentanenitrile Openeye Name: 5-ethoxy-2-(o-tolyl)-3-oxo-pentanenitrile CAS Name: 5-ethoxy-2-(2-methylphenyl)-3-oxopentanenitrile IUPAC Name: 5-ethoxy-2-(2-methylphenyl)-3-oxopentanenitrile Traditional Name: 5-ethoxy-3-keto-2-(o-tolyl)valeronitrile Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO2/c1-3-17-9-8-14(16)13(10-15)12-7-5-4-6-11(12)2/h4-7,13H,3,8-9H2,1-2H3