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

Systemtic Name: 4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Openeye Name: 4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid CAS Name: 4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid IUPAC Name: 4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Traditional Name: 4-[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=C(C=C4)C(=O)O

Isomeric SMILES

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

InChI

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