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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-4-(4-propan-2-yloxyphenyl)butanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-(4-isopropoxyphenyl)-4-oxo-butanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-4-oxo-4-(4-propan-2-yloxyphenyl)butanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-oxo-4-(4-propan-2-yloxyphenyl)butanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-(4-isopropoxyphenyl)-4-keto-butyronitrile Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)CC(C#N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)CC(C#N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H19NO4/c1-13(2)25-17-6-3-14(4-7-17)18(22)9-16(11-21)15-5-8-19-20(10-15)24-12-23-19/h3-8,10,13,16H,9,12H2,1-2H3