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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrFNO6/c1-2-24-15(20)9-5-10(7-12(6-9)19(22)23)16(21)25-14-4-3-11(17)8-13(14)18/h3-8H,2H2,1H3