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

Systemtic Name: 3-(4-nitropyrazol-1-yl)-1-[(5S)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one Openeye Name: 1-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-(4-nitropyrazol-1-yl)propan-1-one CAS Name: 1-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-(4-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-(4-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-[(5S)-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-3-(4-nitropyrazol-1-yl)propan-1-one Formula: C10H10F3N5O4 MolecularWeight: 321.21271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10F3N5O4/c11-10(12,13)9(20)2-3-14-17(9)8(19)1-4-16-6-7(5-15-16)18(21)22/h3,5-6,20H,1-2,4H2/t9-/m0/s1