[2-bromanyl-6-nitro-4-(trifluoromethyl)phenyl] 2,6-dimethoxy-3-nitro-benzoate

Systemtic Name: [2-bromanyl-6-nitro-4-(trifluoromethyl)phenyl] 2,6-dimethoxy-3-nitro-benzoate Openeye Name: [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] 2,6-dimethoxy-3-nitro-benzoate CAS Name: 2,6-dimethoxy-3-nitrobenzoic acid [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] ester IUPAC Name: [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] 2,6-dimethoxy-3-nitrobenzoate Traditional Name: 2,6-dimethoxy-3-nitro-benzoic acid [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] ester Formula: C16H10BrF3N2O8 MolecularWeight: 495.15841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)[N+](=O)[O-])OC)C(=O)OC2=C(C=C(C=C2Br)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=C(C=C1)[N+](=O)[O-])OC)C(=O)OC2=C(C=C(C=C2Br)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H10BrF3N2O8/c1-28-11-4-3-9(21(24)25)14(29-2)12(11)15(23)30-13-8(17)5-7(16(18,19)20)6-10(13)22(26)27/h3-6H,1-2H3