2-(2,5-dimethylphenyl)carbonylbutanenitrile

Systemtic Name: 2-(2,5-dimethylphenyl)carbonylbutanenitrile Openeye Name: 2-(2,5-dimethylbenzoyl)butanenitrile CAS Name: 2-[(2,5-dimethylphenyl)-oxomethyl]butanenitrile IUPAC Name: 2-(2,5-dimethylbenzoyl)butanenitrile Traditional Name: 2-(2,5-dimethylbenzoyl)butyronitrile Formula: C13H15NO MolecularWeight: 201.2643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO/c1-4-11(8-14)13(15)12-7-9(2)5-6-10(12)3/h5-7,11H,4H2,1-3H3