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

Systemtic Name: (2-nitrophenyl)-[(5S)-5-oxidanyl-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: [(5S)-5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone CAS Name: [(5S)-5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone IUPAC Name: [(5S)-5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone Traditional Name: [(5S)-5-hydroxy-5-phenyl-3-(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(C2=CC=CC=C2)O)C(=O)C3=CC=CC=C3[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

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

InChI

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