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

Systemtic Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxidanylidene-butanenitrile Openeye Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxo-butanenitrile CAS Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxobutanenitrile IUPAC Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxobutanenitrile Traditional Name: 4-keto-2-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)butyronitrile Formula: C19H17NO5 MolecularWeight: 339.34198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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