2-(2-methoxy-5-methyl-phenyl)-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-(2-methoxy-5-methyl-phenyl)-3-oxidanylidene-pentanenitrile Openeye Name: 2-(2-methoxy-5-methyl-phenyl)-3-oxo-pentanenitrile CAS Name: 2-(2-methoxy-5-methylphenyl)-3-oxopentanenitrile IUPAC Name: 2-(2-methoxy-5-methylphenyl)-3-oxopentanenitrile Traditional Name: 3-keto-2-(2-methoxy-5-methyl-phenyl)valeronitrile Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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