(2E)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-pivaloyl-acrylonitrile Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CC2=C(C(=C1)OC)OCO2)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=CC2=C(C(=C1)OC)OCO2)/C#N

InChI

InChI=1S/C16H17NO4/c1-16(2,3)15(18)11(8-17)5-10-6-12(19-4)14-13(7-10)20-9-21-14/h5-7H,9H2,1-4H3/b11-5+