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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(7-methoxy-2-methyl-1-benzofuran-4-yl)-4-oxidanylidene-butanenitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-(7-methoxy-2-methyl-benzofuran-4-yl)-4-oxo-butanenitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(7-methoxy-2-methyl-4-benzofuranyl)-4-oxobutanenitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-(7-methoxy-2-methyl-1-benzofuran-4-yl)-4-oxobutanenitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-4-keto-2-(7-methoxy-2-methyl-benzofuran-4-yl)butyronitrile Formula: C21H17NO5 MolecularWeight: 363.36338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC(=C2O1)OC)C(CC(=O)C3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CC1=CC2=C(C=CC(=C2O1)OC)C(CC(=O)C3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C21H17NO5/c1-12-7-16-15(4-6-19(24-2)21(16)27-12)14(10-22)8-17(23)13-3-5-18-20(9-13)26-11-25-18/h3-7,9,14H,8,11H2,1-2H3