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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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