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

Systemtic Name: tert-butyl (5S)-5-(4-bromophenyl)-3-methyl-5-oxidanyl-4H-pyrazole-1-carboxylate Openeye Name: tert-butyl (5S)-5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazole-1-carboxylate CAS Name: (5S)-5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (5S)-5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazole-1-carboxylate Traditional Name: (5S)-5-(4-bromophenyl)-5-hydroxy-3-methyl-2-pyrazoline-1-carboxylic acid tert-butyl ester Formula: C15H19BrN2O3 MolecularWeight: 355.22696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19BrN2O3/c1-10-9-15(20,11-5-7-12(16)8-6-11)18(17-10)13(19)21-14(2,3)4/h5-8,20H,9H2,1-4H3/t15-/m0/s1