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

Systemtic Name: [(5S)-3-(3-nitrophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-yl-methanone Openeye Name: [(5S)-5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-pyridyl)methanone CAS Name: [(5S)-5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone IUPAC Name: [(5S)-5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone Traditional Name: [(5S)-5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(4-pyridyl)methanone Formula: C16H11F3N4O4 MolecularWeight: 380.27815

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11F3N4O4/c17-16(18,19)15(25)9-13(11-2-1-3-12(8-11)23(26)27)21-22(15)14(24)10-4-6-20-7-5-10/h1-8,25H,9H2/t15-/m0/s1