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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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