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

Systemtic Name: [3-(4-bromophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone Openeye Name: [3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone CAS Name: [3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone IUPAC Name: [3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone Traditional Name: [3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(4-iodophenyl)methanone Formula: C17H11BrF3IN2O2 MolecularWeight: 539.08512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)I)C3=CC=C(C=C3)Br

Isomeric SMILES

C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)I)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H11BrF3IN2O2/c18-12-5-1-10(2-6-12)14-9-16(26,17(19,20)21)24(23-14)15(25)11-3-7-13(22)8-4-11/h1-8,26H,9H2