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

Systemtic Name: 3-[3-(3,4-diethoxyphenyl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Openeye Name: 3-[3-(3,4-diethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid CAS Name: 3-[3-(3,4-diethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid IUPAC Name: 3-[3-(3,4-diethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Traditional Name: 3-[3-(3,4-diethoxyphenyl)-6-keto-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Formula: C21H23N2O5+ MolecularWeight: 383.41772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=[N+](NC(=O)CC2)C3=CC=CC(=C3)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=[N+](NC(=O)CC2)C3=CC=CC(=C3)C(=O)O)OCC

InChI

InChI=1S/C21H22N2O5/c1-3-27-18-10-8-14(13-19(18)28-4-2)17-9-11-20(24)22-23(17)16-7-5-6-15(12-16)21(25)26/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H-,22,24,25,26)/p+1