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

Systemtic Name: ethyl (5S)-1-(4-chlorophenyl)carbonyl-5-(4-methylphenyl)-5-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: ethyl (5S)-1-(4-chlorobenzoyl)-5-hydroxy-5-(p-tolyl)-4H-pyrazole-3-carboxylate CAS Name: (5S)-1-[(4-chlorophenyl)-oxomethyl]-5-hydroxy-5-(4-methylphenyl)-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (5S)-1-(4-chlorobenzoyl)-5-hydroxy-5-(4-methylphenyl)-4H-pyrazole-3-carboxylate Traditional Name: (5S)-1-(4-chlorobenzoyl)-5-hydroxy-5-(p-tolyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C20H19ClN2O4 MolecularWeight: 386.82886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=NN([C@](C1)(C2=CC=C(C=C2)C)O)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN2O4/c1-3-27-19(25)17-12-20(26,15-8-4-13(2)5-9-15)23(22-17)18(24)14-6-10-16(21)11-7-14/h4-11,26H,3,12H2,1-2H3/t20-/m0/s1