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

Systemtic Name: tert-butyl (5S)-3-(4-bromophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: tert-butyl (5S)-3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate CAS Name: (5S)-3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (5S)-3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Traditional Name: (5S)-3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-2-pyrazoline-1-carboxylic acid tert-butyl ester Formula: C15H16BrF3N2O3 MolecularWeight: 409.19835

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)(C(F)(F)F)O

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@](CC(=N1)C2=CC=C(C=C2)Br)(C(F)(F)F)O

InChI

InChI=1S/C15H16BrF3N2O3/c1-13(2,3)24-12(22)21-14(23,15(17,18)19)8-11(20-21)9-4-6-10(16)7-5-9/h4-7,23H,8H2,1-3H3/t14-/m0/s1