2-(4-nitrophenyl)-1-[(5S)-5-oxidanyl-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone

Systemtic Name: 2-(4-nitrophenyl)-1-[(5S)-5-oxidanyl-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone Openeye Name: 1-[(5S)-5-hydroxy-3-(3-pyridyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone CAS Name: 1-[(5S)-5-hydroxy-3-(3-pyridinyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone IUPAC Name: 1-[(5S)-5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone Traditional Name: 1-[(5S)-5-hydroxy-3-(3-pyridyl)-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-(4-nitrophenyl)ethanone Formula: C17H13F3N4O4 MolecularWeight: 394.30473

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1(C(F)(F)F)O)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CN=CC=C3

Isomeric SMILES

C1C(=NN([C@]1(C(F)(F)F)O)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CN=CC=C3

InChI

InChI=1S/C17H13F3N4O4/c18-17(19,20)16(26)9-14(12-2-1-7-21-10-12)22-23(16)15(25)8-11-3-5-13(6-4-11)24(27)28/h1-7,10,26H,8-9H2/t16-/m0/s1