2-(1,3-benzodioxol-5-ylmethyliminomethyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyliminomethyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 2-(1,3-benzodioxol-5-ylmethyliminomethyl)-5,5-dimethyl-3-oxo-cyclohexen-1-olate CAS Name: 2-(1,3-benzodioxol-5-ylmethyliminomethyl)-5,5-dimethyl-3-oxo-1-cyclohexenolate IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyliminomethyl)-5,5-dimethyl-3-oxocyclohexen-1-olate Traditional Name: 3-keto-5,5-dimethyl-2-(piperonyliminomethyl)cyclohexen-1-olate Formula: C17H18NO4- MolecularWeight: 300.32912

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C=NCC2=CC3=C(C=C2)OCO3)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C=NCC2=CC3=C(C=C2)OCO3)[O-])C

InChI

InChI=1S/C17H19NO4/c1-17(2)6-13(19)12(14(20)7-17)9-18-8-11-3-4-15-16(5-11)22-10-21-15/h3-5,9,19H,6-8,10H2,1-2H3/p-1