tert-butyl (5S)-3-methyl-5-oxidanyl-5-phenyl-4H-pyrazole-1-carboxylate

Systemtic Name: tert-butyl (5S)-3-methyl-5-oxidanyl-5-phenyl-4H-pyrazole-1-carboxylate Openeye Name: tert-butyl (5S)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazole-1-carboxylate CAS Name: (5S)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (5S)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazole-1-carboxylate Traditional Name: (5S)-5-hydroxy-3-methyl-5-phenyl-2-pyrazoline-1-carboxylic acid tert-butyl ester Formula: C15H20N2O3 MolecularWeight: 276.3309

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NN([C@](C1)(C2=CC=CC=C2)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C15H20N2O3/c1-11-10-15(19,12-8-6-5-7-9-12)17(16-11)13(18)20-14(2,3)4/h5-9,19H,10H2,1-4H3/t15-/m0/s1