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

Systemtic Name: 1-[(5S)-3-(4-nitrophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[(5S)-5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenoxy-ethanone CAS Name: 1-[(5S)-5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenoxyethanone IUPAC Name: 1-[(5S)-5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenoxyethanone Traditional Name: 1-[(5S)-5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-phenoxy-ethanone Formula: C18H14F3N3O5 MolecularWeight: 409.31607

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1(C(F)(F)F)O)C(=O)COC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(=NN([C@]1(C(F)(F)F)O)C(=O)COC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14F3N3O5/c19-18(20,21)17(26)10-15(12-6-8-13(9-7-12)24(27)28)22-23(17)16(25)11-29-14-4-2-1-3-5-14/h1-9,26H,10-11H2/t17-/m0/s1