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

Systemtic Name: 4-[3-(4-methylphenyl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Openeye Name: 4-[6-oxo-3-(p-tolyl)-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid CAS Name: 4-[3-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid IUPAC Name: 4-[3-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Traditional Name: 4-[6-keto-3-(p-tolyl)-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Formula: C18H17N2O3+ MolecularWeight: 309.33918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](NC(=O)CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](NC(=O)CC2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H16N2O3/c1-12-2-4-13(5-3-12)16-10-11-17(21)19-20(16)15-8-6-14(7-9-15)18(22)23/h2-9H,10-11H2,1H3,(H-,19,21,22,23)/p+1