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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11F3N4O4/c17-16(18,19)13-8-15(25,10-4-3-7-20-9-10)22(21-13)14(24)11-5-1-2-6-12(11)23(26)27/h1-7,9,25H,8H2/t15-/m1/s1