2-(3-methoxy-4-methyl-phenyl)carbonylbutanenitrile

Systemtic Name: 2-(3-methoxy-4-methyl-phenyl)carbonylbutanenitrile Openeye Name: 2-(3-methoxy-4-methyl-benzoyl)butanenitrile CAS Name: 2-[(3-methoxy-4-methylphenyl)-oxomethyl]butanenitrile IUPAC Name: 2-(3-methoxy-4-methylbenzoyl)butanenitrile Traditional Name: 2-(3-methoxy-4-methyl-benzoyl)butyronitrile Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO2/c1-4-10(8-14)13(15)11-6-5-9(2)12(7-11)16-3/h5-7,10H,4H2,1-3H3