4-[[3-(3,4-dimethoxyphenyl)-6-oxidanylidene-4,5-dihydropyridazin-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[3-(3,4-dimethoxyphenyl)-6-oxidanylidene-4,5-dihydropyridazin-1-yl]methyl]benzoic acid Openeye Name: 4-[[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzoic acid CAS Name: 4-[[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzoic acid IUPAC Name: 4-[[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzoic acid Traditional Name: 4-[[3-(3,4-dimethoxyphenyl)-6-keto-4,5-dihydropyridazin-1-yl]methyl]benzoic acid Formula: C20H20N2O5 MolecularWeight: 368.3832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)CC2)CC3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)CC2)CC3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C20H20N2O5/c1-26-17-9-7-15(11-18(17)27-2)16-8-10-19(23)22(21-16)12-13-3-5-14(6-4-13)20(24)25/h3-7,9,11H,8,10,12H2,1-2H3,(H,24,25)