2-(4-methylphenyl)-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-(4-methylphenyl)-3-oxidanylidene-pentanenitrile Openeye Name: 3-oxo-2-(p-tolyl)pentanenitrile CAS Name: 2-(4-methylphenyl)-3-oxopentanenitrile IUPAC Name: 2-(4-methylphenyl)-3-oxopentanenitrile Traditional Name: 3-keto-2-(p-tolyl)valeronitrile Formula: C12H13NO MolecularWeight: 187.23772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO/c1-3-12(14)11(8-13)10-6-4-9(2)5-7-10/h4-7,11H,3H2,1-2H3