1,1,1-tris(fluoranyl)-8-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]octan-2-one

Systemtic Name: 1,1,1-tris(fluoranyl)-8-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]octan-2-one Openeye Name: 1,1,1-trifluoro-8-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]octan-2-one CAS Name: 1,1,1-trifluoro-8-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-octanone IUPAC Name: 1,1,1-trifluoro-8-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]octan-2-one Traditional Name: 1,1,1-trifluoro-8-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]octan-2-one Formula: C16H16F3N3O4 MolecularWeight: 371.31115

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NOC(=N2)CCCCCCC(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NOC(=N2)CCCCCCC(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H16F3N3O4/c17-16(18,19)13(23)5-3-1-2-4-6-14-20-15(21-26-14)11-7-9-12(10-8-11)22(24)25/h7-10H,1-6H2