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

Systemtic Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Openeye Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid CAS Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid IUPAC Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Traditional Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-keto-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Formula: C19H17N2O5+ MolecularWeight: 353.34868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N[N+](=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CC(=O)N[N+](=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C19H16N2O5/c22-18-7-5-15(12-4-6-16-17(11-12)26-9-8-25-16)21(20-18)14-3-1-2-13(10-14)19(23)24/h1-4,6,10-11H,5,7-9H2,(H-,20,22,23,24)/p+1