ethyl 5-[2-bromanyl-4-(trifluoromethylsulfonyl)phenoxy]-2-nitro-benzoate

Systemtic Name: ethyl 5-[2-bromanyl-4-(trifluoromethylsulfonyl)phenoxy]-2-nitro-benzoate Openeye Name: ethyl 5-[2-bromo-4-(trifluoromethylsulfonyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-bromo-4-(trifluoromethylsulfonyl)phenoxy]-2-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 5-[2-bromo-4-(trifluoromethylsulfonyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-(2-bromo-4-triflyl-phenoxy)-2-nitro-benzoic acid ethyl ester Formula: C16H11BrF3NO7S MolecularWeight: 498.22525

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H11BrF3NO7S/c1-2-27-15(22)11-7-9(3-5-13(11)21(23)24)28-14-6-4-10(8-12(14)17)29(25,26)16(18,19)20/h3-8H,2H2,1H3