1-[5-(4-nitrophenyl)-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[5-(4-nitrophenyl)-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-3-phenyl-1-propanone IUPAC Name: 1-[5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-2-pyrazolin-1-yl]-3-phenyl-propan-1-one Formula: C19H16F3N3O4 MolecularWeight: 407.34325

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)CCC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

C1C(=NN(C1(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)CCC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C19H16F3N3O4/c20-19(21,22)16-12-18(27,14-7-9-15(10-8-14)25(28)29)24(23-16)17(26)11-6-13-4-2-1-3-5-13/h1-5,7-10,27H,6,11-12H2