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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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