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

Systemtic Name: O3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl] ester O1-methyl ester Formula: C19H15NO9 MolecularWeight: 401.3237

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H15NO9/c1-26-18(22)12-6-13(8-14(7-12)20(24)25)19(23)29-10-15(21)11-2-3-16-17(9-11)28-5-4-27-16/h2-3,6-9H,4-5,10H2,1H3