2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-4-(3,4,5-trimethoxyphenyl)butanenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-4-(3,4,5-trimethoxyphenyl)butanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-keto-4-(3,4,5-trimethoxyphenyl)butyronitrile Formula: C20H19NO6 MolecularWeight: 369.36796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CC(C#N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CC(C#N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H19NO6/c1-23-18-8-13(9-19(24-2)20(18)25-3)15(22)6-14(10-21)12-4-5-16-17(7-12)27-11-26-16/h4-5,7-9,14H,6,11H2,1-3H3