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

Systemtic Name: (2-nitrophenyl)-[(5S)-5-oxidanyl-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: [(5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone CAS Name: [(5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone IUPAC Name: [(5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone Traditional Name: [(5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(2-nitrophenyl)methanone Formula: C17H12F3N3O4 MolecularWeight: 379.29009

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12F3N3O4/c18-17(19,20)16(25)10-13(11-6-2-1-3-7-11)21-22(16)15(24)12-8-4-5-9-14(12)23(26)27/h1-9,25H,10H2/t16-/m0/s1