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

Systemtic Name: (4-nitrophenyl)-[(5S)-5-oxidanyl-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: [(5S)-5-hydroxy-3-(4-pyridyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone CAS Name: [(5S)-5-hydroxy-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone IUPAC Name: [(5S)-5-hydroxy-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone Traditional Name: [(5S)-5-hydroxy-3-(4-pyridyl)-5-(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(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=NC=C3

Isomeric SMILES

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

InChI

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