O3-[(4-bromanyl-2-fluoranyl-phenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[(4-bromanyl-2-fluoranyl-phenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(4-bromo-2-fluoro-phenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(4-bromo-2-fluorophenyl)methyl] ester O1-methyl ester IUPAC Name: 3-O-[(4-bromo-2-fluorophenyl)methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(4-bromo-2-fluoro-benzyl) ester O1-methyl ester Formula: C16H11BrFNO6 MolecularWeight: 412.164043

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C16H11BrFNO6/c1-24-15(20)10-4-11(6-13(5-10)19(22)23)16(21)25-8-9-2-3-12(17)7-14(9)18/h2-7H,8H2,1H3