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

Systemtic Name: methyl (5S)-3-(4-bromophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C12H10BrF3N2O3 MolecularWeight: 367.11861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10BrF3N2O3/c1-21-10(19)18-11(20,12(14,15)16)6-9(17-18)7-2-4-8(13)5-3-7/h2-5,20H,6H2,1H3/t11-/m0/s1