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

Systemtic Name: (3-bromophenyl)-[5-(4-nitrophenyl)-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: (3-bromophenyl)-[5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone CAS Name: (3-bromophenyl)-[5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone IUPAC Name: (3-bromophenyl)-[5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Traditional Name: (3-bromophenyl)-[5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-2-pyrazolin-1-yl]methanone Formula: C17H11BrF3N3O4 MolecularWeight: 458.18615

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11BrF3N3O4/c18-12-3-1-2-10(8-12)15(25)23-16(26,9-14(22-23)17(19,20)21)11-4-6-13(7-5-11)24(27)28/h1-8,26H,9H2