6-[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]pyridazine-3-carboxylic acid

Systemtic Name: 6-[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]pyridazine-3-carboxylic acid Openeye Name: 6-[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]pyridazine-3-carboxylic acid CAS Name: 6-[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]-3-pyridazinecarboxylic acid IUPAC Name: 6-[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]pyridazine-3-carboxylic acid Traditional Name: 6-[1-(4-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]pyridazine-3-carboxylic acid Formula: C15H11ClN4O3 MolecularWeight: 330.72584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C2=NN=C(C=C2)C(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NN(C(=O)C1C2=NN=C(C=C2)C(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H11ClN4O3/c1-8-13(11-6-7-12(15(22)23)18-17-11)14(21)20(19-8)10-4-2-9(16)3-5-10/h2-7,13H,1H3,(H,22,23)