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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-oxo-butanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-oxobutanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-oxobutanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-(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(=O)CC(C#N)C2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

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

InChI

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