O3-[(4-bromophenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[(4-bromophenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(4-bromophenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(4-bromophenyl)methyl] ester O1-methyl ester IUPAC Name: 3-O-[(4-bromophenyl)methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(4-bromobenzyl) ester O1-methyl ester Formula: C16H12BrNO6 MolecularWeight: 394.17358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrNO6/c1-23-15(19)11-6-12(8-14(7-11)18(21)22)16(20)24-9-10-2-4-13(17)5-3-10/h2-8H,9H2,1H3