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

Systemtic Name: methyl (5S)-5-(4-methylphenyl)-5-oxidanyl-1-(phenylcarbonyl)-4H-pyrazole-3-carboxylate Openeye Name: methyl (5S)-1-benzoyl-5-hydroxy-5-(p-tolyl)-4H-pyrazole-3-carboxylate CAS Name: (5S)-1-benzoyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl (5S)-1-benzoyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazole-3-carboxylate Traditional Name: (5S)-1-benzoyl-5-hydroxy-5-(p-tolyl)-2-pyrazoline-3-carboxylic acid methyl ester Formula: C19H18N2O4 MolecularWeight: 338.35722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CC(=NN2C(=O)C3=CC=CC=C3)C(=O)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@]2(CC(=NN2C(=O)C3=CC=CC=C3)C(=O)OC)O

InChI

InChI=1S/C19H18N2O4/c1-13-8-10-15(11-9-13)19(24)12-16(18(23)25-2)20-21(19)17(22)14-6-4-3-5-7-14/h3-11,24H,12H2,1-2H3/t19-/m0/s1