2-(1,3-benzodioxol-5-yl)-4-(4-methoxy-3-methyl-phenyl)-4-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-(4-methoxy-3-methyl-phenyl)-4-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-(4-methoxy-3-methyl-phenyl)-4-oxo-butanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-keto-4-(4-methoxy-3-methyl-phenyl)butyronitrile Formula: C19H17NO4 MolecularWeight: 323.34258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)CC(C#N)C2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)CC(C#N)C2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C19H17NO4/c1-12-7-14(4-5-17(12)22-2)16(21)8-15(10-20)13-3-6-18-19(9-13)24-11-23-18/h3-7,9,15H,8,11H2,1-2H3