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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(N(N2)C(=O)C3=CC=CC=C3[N+](=O)[O-])(C(F)(F)F)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C[C@](N(N2)C(=O)C3=CC=CC=C3[N+](=O)[O-])(C(F)(F)F)O

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/h1-10,21,25H/t16-/m1/s1