4-[5-(1,3-benzodioxol-5-yl)-4-ethoxycarbonyl-3-oxidanylidene-cyclohexen-1-yl]-3-(4-methylphenyl)-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-(4-methylphenyl)-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-(p-tolyl)oxadiazol-3-ium-5-olate CAS Name: 4-[5-(1,3-benzodioxol-5-yl)-4-ethoxycarbonyl-3-oxo-1-cyclohexenyl]-3-(4-methylphenyl)-5-oxadiazol-3-iumolate IUPAC Name: 4-[5-(1,3-benzodioxol-5-yl)-4-ethoxycarbonyl-3-oxocyclohexen-1-yl]-3-(4-methylphenyl)oxadiazol-3-ium-5-olate Traditional Name: 4-[5-(1,3-benzodioxol-5-yl)-4-carbethoxy-3-keto-cyclohexen-1-yl]-3-(p-tolyl)oxadiazol-3-ium-5-olate Formula: C25H22N2O7 MolecularWeight: 462.45138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O7/c1-3-31-24(29)22-18(15-6-9-20-21(12-15)33-13-32-20)10-16(11-19(22)28)23-25(30)34-26-27(23)17-7-4-14(2)5-8-17/h4-9,11-12,18,22H,3,10,13H2,1-2H3