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

Systemtic Name: methyl 5-(4-chlorophenyl)-1-(4-methylphenyl)carbonyl-5-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: methyl 5-(4-chlorophenyl)-5-hydroxy-1-(4-methylbenzoyl)-4H-pyrazole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-5-hydroxy-1-[(4-methylphenyl)-oxomethyl]-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-chlorophenyl)-5-hydroxy-1-(4-methylbenzoyl)-4H-pyrazole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-5-hydroxy-1-p-toluoyl-2-pyrazoline-3-carboxylic acid methyl ester Formula: C19H17ClN2O4 MolecularWeight: 372.80228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C(CC(=N2)C(=O)OC)(C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C(CC(=N2)C(=O)OC)(C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C19H17ClN2O4/c1-12-3-5-13(6-4-12)17(23)22-19(25,11-16(21-22)18(24)26-2)14-7-9-15(20)10-8-14/h3-10,25H,11H2,1-2H3