3-methyl-2-(2-oxidanylideneethyl)-2-(3,4,5-trimethoxyphenyl)butanenitrile

Systemtic Name: 3-methyl-2-(2-oxidanylideneethyl)-2-(3,4,5-trimethoxyphenyl)butanenitrile Openeye Name: 3-methyl-2-(2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)butanenitrile CAS Name: 3-methyl-2-(2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)butanenitrile IUPAC Name: 3-methyl-2-(2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)butanenitrile Traditional Name: 2-(2-ketoethyl)-3-methyl-2-(3,4,5-trimethoxyphenyl)butyronitrile Formula: C16H21NO4 MolecularWeight: 291.34224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-11(2)16(10-17,6-7-18)12-8-13(19-3)15(21-5)14(9-12)20-4/h7-9,11H,6H2,1-5H3