2-(2-methylphenyl)carbonylbutanenitrile

Systemtic Name: 2-(2-methylphenyl)carbonylbutanenitrile Openeye Name: 2-(2-methylbenzoyl)butanenitrile CAS Name: 2-[(2-methylphenyl)-oxomethyl]butanenitrile IUPAC Name: 2-(2-methylbenzoyl)butanenitrile Traditional Name: 2-o-toluoylbutyronitrile Formula: C12H13NO MolecularWeight: 187.23772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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