methyl 5-(4-chlorophenyl)-5-oxidanyl-1-(phenylcarbonyl)-4H-pyrazole-3-carboxylate

Systemtic Name: methyl 5-(4-chlorophenyl)-5-oxidanyl-1-(phenylcarbonyl)-4H-pyrazole-3-carboxylate Openeye Name: methyl 1-benzoyl-5-(4-chlorophenyl)-5-hydroxy-4H-pyrazole-3-carboxylate CAS Name: 1-benzoyl-5-(4-chlorophenyl)-5-hydroxy-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-benzoyl-5-(4-chlorophenyl)-5-hydroxy-4H-pyrazole-3-carboxylate Traditional Name: 1-benzoyl-5-(4-chlorophenyl)-5-hydroxy-2-pyrazoline-3-carboxylic acid methyl ester Formula: C18H15ClN2O4 MolecularWeight: 358.7757

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(C1)(C2=CC=C(C=C2)Cl)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=NN(C(C1)(C2=CC=C(C=C2)Cl)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H15ClN2O4/c1-25-17(23)15-11-18(24,13-7-9-14(19)10-8-13)21(20-15)16(22)12-5-3-2-4-6-12/h2-10,24H,11H2,1H3