2-(4-methoxy-2,5-dimethyl-phenyl)-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(4-methoxy-2,5-dimethyl-phenyl)-3-oxidanylidene-butanenitrile Openeye Name: 2-(4-methoxy-2,5-dimethyl-phenyl)-3-oxo-butanenitrile CAS Name: 2-(4-methoxy-2,5-dimethylphenyl)-3-oxobutanenitrile IUPAC Name: 2-(4-methoxy-2,5-dimethylphenyl)-3-oxobutanenitrile Traditional Name: 3-keto-2-(4-methoxy-2,5-dimethyl-phenyl)butyronitrile Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C#N)C(=O)C)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C(C#N)C(=O)C)C)OC

InChI

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