methyl 5-(4-chlorophenyl)-3-oxidanyl-2-(phenylcarbonyl)-4H-pyrazole-3-carboxylate

Systemtic Name: methyl 5-(4-chlorophenyl)-3-oxidanyl-2-(phenylcarbonyl)-4H-pyrazole-3-carboxylate Openeye Name: methyl 2-benzoyl-5-(4-chlorophenyl)-3-hydroxy-4H-pyrazole-3-carboxylate CAS Name: 2-benzoyl-5-(4-chlorophenyl)-3-hydroxy-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-benzoyl-5-(4-chlorophenyl)-3-hydroxy-4H-pyrazole-3-carboxylate Traditional Name: 2-benzoyl-5-(4-chlorophenyl)-3-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(CC(=NN1C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

COC(=O)C1(CC(=NN1C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl)O

InChI

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