4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid

Systemtic Name: 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Openeye Name: 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid CAS Name: 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid IUPAC Name: 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Traditional Name: 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-keto-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Formula: C20H19N2O5+ MolecularWeight: 367.37526

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=[N+](NC(=O)CC3)C4=CC=C(C=C4)C(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=[N+](NC(=O)CC3)C4=CC=C(C=C4)C(=O)O)OC1

InChI

InChI=1S/C20H18N2O5/c23-19-9-7-16(14-4-8-17-18(12-14)27-11-1-10-26-17)22(21-19)15-5-2-13(3-6-15)20(24)25/h2-6,8,12H,1,7,9-11H2,(H-,21,23,24,25)/p+1