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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-(2,4-dimethoxyphenyl)-4-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-(2,4-dimethoxyphenyl)-4-oxo-butanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-4-(2,4-dimethoxyphenyl)-4-oxobutanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-(2,4-dimethoxyphenyl)-4-oxobutanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-(2,4-dimethoxyphenyl)-4-keto-butyronitrile Formula: C19H17NO5 MolecularWeight: 339.34198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)CC(C#N)C2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)CC(C#N)C2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C19H17NO5/c1-22-14-4-5-15(18(9-14)23-2)16(21)7-13(10-20)12-3-6-17-19(8-12)25-11-24-17/h3-6,8-9,13H,7,11H2,1-2H3