2-(3-methoxy-4-methyl-phenyl)-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-(3-methoxy-4-methyl-phenyl)-3-oxidanylidene-pentanenitrile Openeye Name: 2-(3-methoxy-4-methyl-phenyl)-3-oxo-pentanenitrile CAS Name: 2-(3-methoxy-4-methylphenyl)-3-oxopentanenitrile IUPAC Name: 2-(3-methoxy-4-methylphenyl)-3-oxopentanenitrile Traditional Name: 3-keto-2-(3-methoxy-4-methyl-phenyl)valeronitrile Formula: C13H15NO2 MolecularWeight: 217.2637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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