O3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl] ester O1-methyl ester IUPAC Name: 3-O-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl] ester O1-methyl ester Formula: C18H14BrNO8 MolecularWeight: 452.20966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C18H14BrNO8/c1-25-17(21)10-4-11(6-13(5-10)20(23)24)18(22)28-9-12-7-15-16(8-14(12)19)27-3-2-26-15/h4-8H,2-3,9H2,1H3