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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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