(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-methyl-3-oxidanylidene-cyclohexane-1-carbonitrile

Systemtic Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-methyl-3-oxidanylidene-cyclohexane-1-carbonitrile Openeye Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylene)-1-methyl-3-oxo-cyclohexanecarbonitrile CAS Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-methyl-3-oxo-1-cyclohexanecarbonitrile IUPAC Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-methyl-3-oxocyclohexane-1-carbonitrile Traditional Name: (4Z)-3-keto-1-methyl-4-piperonylidene-cyclohexanecarbonitrile Formula: C16H15NO3 MolecularWeight: 269.2952

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=CC2=CC3=C(C=C2)OCO3)C(=O)C1)C#N

Isomeric SMILES

CC1(CC/C(=C/C2=CC3=C(C=C2)OCO3)/C(=O)C1)C#N

InChI

InChI=1S/C16H15NO3/c1-16(9-17)5-4-12(13(18)8-16)6-11-2-3-14-15(7-11)20-10-19-14/h2-3,6-7H,4-5,8,10H2,1H3/b12-6-