4-[5-(1,3-benzodioxol-5-yl)-4-ethoxycarbonyl-3-oxidanylidene-cyclohexen-1-yl]-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 4-[5-(1,3-benzodioxol-5-yl)-4-ethoxycarbonyl-3-oxidanylidene-cyclohexen-1-yl]-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-[5-(1,3-benzodioxol-5-yl)-4-ethoxycarbonyl-3-oxo-cyclohexen-1-yl]-3-phenyl-oxadiazol-3-ium-5-olate CAS Name: 4-[5-(1,3-benzodioxol-5-yl)-4-ethoxycarbonyl-3-oxo-1-cyclohexenyl]-3-phenyl-5-oxadiazol-3-iumolate IUPAC Name: 4-[5-(1,3-benzodioxol-5-yl)-4-ethoxycarbonyl-3-oxocyclohexen-1-yl]-3-phenyloxadiazol-3-ium-5-olate Traditional Name: 4-[5-(1,3-benzodioxol-5-yl)-4-carbethoxy-3-keto-cyclohexen-1-yl]-3-phenyl-oxadiazol-3-ium-5-olate Formula: C24H20N2O7 MolecularWeight: 448.4248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C2=C(ON=[N+]2C3=CC=CC=C3)[O-])C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1C(CC(=CC1=O)C2=C(ON=[N+]2C3=CC=CC=C3)[O-])C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H20N2O7/c1-2-30-23(28)21-17(14-8-9-19-20(12-14)32-13-31-19)10-15(11-18(21)27)22-24(29)33-25-26(22)16-6-4-3-5-7-16/h3-9,11-12,17,21H,2,10,13H2,1H3