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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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