2-[[3-ethoxycarbonyl-1-(2-methylphenyl)-6-oxidanylidene-pyridazin-4-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-ethoxycarbonyl-1-(2-methylphenyl)-6-oxidanylidene-pyridazin-4-yl]carbamoyl]benzoic acid Openeye Name: 2-[[3-ethoxycarbonyl-1-(o-tolyl)-6-oxo-pyridazin-4-yl]carbamoyl]benzoic acid CAS Name: 2-[[[3-ethoxycarbonyl-1-(2-methylphenyl)-6-oxo-4-pyridazinyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-ethoxycarbonyl-1-(2-methylphenyl)-6-oxopyridazin-4-yl]carbamoyl]benzoic acid Traditional Name: 2-[[3-carbethoxy-6-keto-1-(o-tolyl)pyridazin-4-yl]carbamoyl]benzoic acid Formula: C22H19N3O6 MolecularWeight: 421.40276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2=CC=CC=C2C(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2=CC=CC=C2C(=O)O)C3=CC=CC=C3C

InChI

InChI=1S/C22H19N3O6/c1-3-31-22(30)19-16(23-20(27)14-9-5-6-10-15(14)21(28)29)12-18(26)25(24-19)17-11-7-4-8-13(17)2/h4-12H,3H2,1-2H3,(H,23,27)(H,28,29)