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

Systemtic Name: O3-[(5-bromanyl-2-methoxy-phenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(5-bromo-2-methoxy-phenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(5-bromo-2-methoxyphenyl)methyl] ester O1-methyl ester IUPAC Name: 3-O-[(5-bromo-2-methoxyphenyl)methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(5-bromo-2-methoxy-benzyl) ester O1-methyl ester Formula: C17H14BrNO7 MolecularWeight: 424.19956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H14BrNO7/c1-24-15-4-3-13(18)6-12(15)9-26-17(21)11-5-10(16(20)25-2)7-14(8-11)19(22)23/h3-8H,9H2,1-2H3