2-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxy-3-methyl-phenyl)-4-oxidanylidene-butanenitrile

Systemtic Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxy-3-methyl-phenyl)-4-oxidanylidene-butanenitrile Openeye Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxy-3-methyl-phenyl)-4-oxo-butanenitrile CAS Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanenitrile IUPAC Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanenitrile Traditional Name: 4-keto-2-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxy-3-methyl-phenyl)butyronitrile Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO5/c1-12-6-13(4-5-17(12)23-2)16(22)7-15(10-21)14-8-18(24-3)20-19(9-14)25-11-26-20/h4-6,8-9,15H,7,11H2,1-3H3