(4-iodophenyl) 5-methyl-1-(6-oxidanylidene-1H-pyridazin-3-yl)pyrazole-4-carboxylate

Systemtic Name: (4-iodophenyl) 5-methyl-1-(6-oxidanylidene-1H-pyridazin-3-yl)pyrazole-4-carboxylate Openeye Name: (4-iodophenyl) 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-iodophenyl) ester IUPAC Name: (4-iodophenyl) 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-iodophenyl) ester Formula: C15H11IN4O3 MolecularWeight: 422.17731

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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)I

Isomeric SMILES

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

InChI

InChI=1S/C15H11IN4O3/c1-9-12(15(22)23-11-4-2-10(16)3-5-11)8-17-20(9)13-6-7-14(21)19-18-13/h2-8H,1H3,(H,19,21)