(2-bromophenyl)-[(5S)-3-ethyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

Systemtic Name: (2-bromophenyl)-[(5S)-3-ethyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: (2-bromophenyl)-[(5S)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone CAS Name: (2-bromophenyl)-[(5S)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone IUPAC Name: (2-bromophenyl)-[(5S)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Traditional Name: (2-bromophenyl)-[(5S)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]methanone Formula: C13H12BrF3N2O2 MolecularWeight: 365.14579

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=CC=C2Br

Isomeric SMILES

CCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C13H12BrF3N2O2/c1-2-8-7-12(21,13(15,16)17)19(18-8)11(20)9-5-3-4-6-10(9)14/h3-6,21H,2,7H2,1H3/t12-/m0/s1