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

Systemtic Name: O3-[(2-bromanyl-4,5-diethoxy-phenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(2-bromo-4,5-diethoxy-phenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(2-bromo-4,5-diethoxyphenyl)methyl] ester O1-methyl ester IUPAC Name: 3-O-[(2-bromo-4,5-diethoxyphenyl)methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(2-bromo-4,5-diethoxy-benzyl) ester O1-methyl ester Formula: C20H20BrNO8 MolecularWeight: 482.2787

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])Br)OCC

InChI

InChI=1S/C20H20BrNO8/c1-4-28-17-9-14(16(21)10-18(17)29-5-2)11-30-20(24)13-6-12(19(23)27-3)7-15(8-13)22(25)26/h6-10H,4-5,11H2,1-3H3