3-(4-chloranyl-3-nitro-pyrazol-1-yl)-1-[(5S)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one

Systemtic Name: 3-(4-chloranyl-3-nitro-pyrazol-1-yl)-1-[(5S)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one Openeye Name: 3-(4-chloro-3-nitro-pyrazol-1-yl)-1-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one CAS Name: 3-(4-chloro-3-nitro-1-pyrazolyl)-1-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-1-propanone IUPAC Name: 3-(4-chloro-3-nitropyrazol-1-yl)-1-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one Traditional Name: 3-(4-chloro-3-nitro-pyrazol-1-yl)-1-[(5S)-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]propan-1-one Formula: C10H9ClF3N5O4 MolecularWeight: 355.65777

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=NN(C1(C(F)(F)F)O)C(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Cl

Isomeric SMILES

C1C=NN([C@]1(C(F)(F)F)O)C(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Cl

InChI

InChI=1S/C10H9ClF3N5O4/c11-6-5-17(16-8(6)19(22)23)4-1-7(20)18-9(21,2-3-15-18)10(12,13)14/h3,5,21H,1-2,4H2/t9-/m0/s1