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

Systemtic Name: (5R)-2-(1,3-benzodioxol-5-ylmethyliminomethyl)-3-oxidanylidene-5-phenyl-cyclohexen-1-olate Openeye Name: (5R)-2-(1,3-benzodioxol-5-ylmethyliminomethyl)-3-oxo-5-phenyl-cyclohexen-1-olate CAS Name: (5R)-2-(1,3-benzodioxol-5-ylmethyliminomethyl)-3-oxo-5-phenyl-1-cyclohexenolate IUPAC Name: (5R)-2-(1,3-benzodioxol-5-ylmethyliminomethyl)-3-oxo-5-phenylcyclohexen-1-olate Traditional Name: (5R)-3-keto-5-phenyl-2-(piperonyliminomethyl)cyclohexen-1-olate Formula: C21H18NO4- MolecularWeight: 348.37192

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(=C1[O-])C=NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

C1[C@H](CC(=O)C(=C1[O-])C=NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H19NO4/c23-18-9-16(15-4-2-1-3-5-15)10-19(24)17(18)12-22-11-14-6-7-20-21(8-14)26-13-25-20/h1-8,12,16,23H,9-11,13H2/p-1/t16-/m1/s1