[2-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-[2-chloro-6-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C16H9BrClF3N2O5 MolecularWeight: 481.60527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9BrClF3N2O5/c17-10-5-4-8(6-12(10)23(26)27)15(25)28-7-13(24)22-14-9(16(19,20)21)2-1-3-11(14)18/h1-6H,7H2,(H,22,24)