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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(N(N1)C(=O)C2=CC=CC=C2Br)(C(F)(F)F)O

Isomeric SMILES

CCC1=C[C@](N(N1)C(=O)C2=CC=CC=C2Br)(C(F)(F)F)O

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/h3-7,18,21H,2H2,1H3/t12-/m1/s1