3-(4-methylsulfonyl-2-nitro-phenyl)-3-oxidanylidene-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propanal

Systemtic Name: 3-(4-methylsulfonyl-2-nitro-phenyl)-3-oxidanylidene-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propanal Openeye Name: 3-(4-methylsulfonyl-2-nitro-phenyl)-3-oxo-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propanal CAS Name: 3-(4-methylsulfonyl-2-nitrophenyl)-3-oxo-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propanal IUPAC Name: 3-(4-methylsulfonyl-2-nitrophenyl)-3-oxo-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propanal Traditional Name: 3-keto-3-(4-mesyl-2-nitro-phenyl)-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propionaldehyde Formula: C13H8F3N3O7S MolecularWeight: 407.27873

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C(C=O)C2=NC(=NO2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C(C=O)C2=NC(=NO2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H8F3N3O7S/c1-27(24,25)6-2-3-7(9(4-6)19(22)23)10(21)8(5-20)11-17-12(18-26-11)13(14,15)16/h2-5,8H,1H3