2-(3-chloranyl-5-methoxy-phenyl)-4-methoxy-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(3-chloranyl-5-methoxy-phenyl)-4-methoxy-3-oxidanylidene-butanenitrile Openeye Name: 2-(3-chloro-5-methoxy-phenyl)-4-methoxy-3-oxo-butanenitrile CAS Name: 2-(3-chloro-5-methoxyphenyl)-4-methoxy-3-oxobutanenitrile IUPAC Name: 2-(3-chloro-5-methoxyphenyl)-4-methoxy-3-oxobutanenitrile Traditional Name: 2-(3-chloro-5-methoxy-phenyl)-3-keto-4-methoxy-butyronitrile Formula: C12H12ClNO3 MolecularWeight: 253.68158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)C(C#N)C1=CC(=CC(=C1)Cl)OC

Isomeric SMILES

COCC(=O)C(C#N)C1=CC(=CC(=C1)Cl)OC

InChI

InChI=1S/C12H12ClNO3/c1-16-7-12(15)11(6-14)8-3-9(13)5-10(4-8)17-2/h3-5,11H,7H2,1-2H3