[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-keto-2-[2-nitro-4-(trifluoromethyl)anilino]ethyl] ester Formula: C16H10BrF3N2O6 MolecularWeight: 463.15961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C16H10BrF3N2O6/c17-9-2-4-13(23)10(6-9)15(25)28-7-14(24)21-11-3-1-8(16(18,19)20)5-12(11)22(26)27/h1-6,23H,7H2,(H,21,24)