[4-(4-chlorophenyl)carbonylphenyl] 5-methyl-1-(6-oxidanylidene-1H-pyridazin-3-yl)pyrazole-4-carboxylate

Systemtic Name: [4-(4-chlorophenyl)carbonylphenyl] 5-methyl-1-(6-oxidanylidene-1H-pyridazin-3-yl)pyrazole-4-carboxylate Openeye Name: [4-(4-chlorobenzoyl)phenyl] 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxylate CAS Name: 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-4-pyrazolecarboxylic acid [4-[(4-chlorophenyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-chlorobenzoyl)phenyl] 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxylate Traditional Name: 1-(6-keto-1H-pyridazin-3-yl)-5-methyl-pyrazole-4-carboxylic acid [4-(4-chlorobenzoyl)phenyl] ester Formula: C22H15ClN4O4 MolecularWeight: 434.8319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NNC(=O)C=C2)C(=O)OC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=NN1C2=NNC(=O)C=C2)C(=O)OC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H15ClN4O4/c1-13-18(12-24-27(13)19-10-11-20(28)26-25-19)22(30)31-17-8-4-15(5-9-17)21(29)14-2-6-16(23)7-3-14/h2-12H,1H3,(H,26,28)