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

Systemtic Name: methyl 1-(4-chlorophenyl)carbonyl-5-oxidanyl-5-phenyl-4H-pyrazole-3-carboxylate Openeye Name: methyl 1-(4-chlorobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(4-chlorobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate Traditional Name: 1-(4-chlorobenzoyl)-5-hydroxy-5-phenyl-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=CC=C2)O)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

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