4-iodanyl-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 4-iodanyl-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]-1H-pyrazole-5-carboxamide Openeye Name: 4-iodo-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]-1H-pyrazole-5-carboxamide CAS Name: 4-iodo-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]-1H-pyrazole-5-carboxamide IUPAC Name: 4-iodo-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]-1H-pyrazole-5-carboxamide Traditional Name: 4-iodo-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]-1H-pyrazole-5-carboxamide Formula: C17H10F3IN4O4 MolecularWeight: 518.18538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C=NN3)I)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C=NN3)I)C(F)(F)F

InChI

InChI=1S/C17H10F3IN4O4/c18-17(19,20)9-2-1-3-12(4-9)29-13-6-10(5-11(7-13)25(27)28)23-16(26)15-14(21)8-22-24-15/h1-8H,(H,22,24)(H,23,26)