5-methyl-3-[4-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]phenyl]-1,2,4-oxadiazole

Systemtic Name: 5-methyl-3-[4-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]phenyl]-1,2,4-oxadiazole Openeye Name: 5-methyl-3-[4-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]phenyl]-1,2,4-oxadiazole CAS Name: 5-methyl-3-[4-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]phenyl]-1,2,4-oxadiazole IUPAC Name: 5-methyl-3-[4-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]phenyl]-1,2,4-oxadiazole Traditional Name: 5-methyl-3-[4-(2-nitro-4-triflyl-phenoxy)phenyl]-1,2,4-oxadiazole Formula: C16H10F3N3O6S MolecularWeight: 429.32731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)C2=CC=C(C=C2)OC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NO1)C2=CC=C(C=C2)OC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H10F3N3O6S/c1-9-20-15(21-28-9)10-2-4-11(5-3-10)27-14-7-6-12(8-13(14)22(23)24)29(25,26)16(17,18)19/h2-8H,1H3