O3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester O1-methyl ester Formula: C20H17NO9 MolecularWeight: 415.35028

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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)OCCCO3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H17NO9/c1-27-19(23)13-7-14(9-15(8-13)21(25)26)20(24)30-11-16(22)12-3-4-17-18(10-12)29-6-2-5-28-17/h3-4,7-10H,2,5-6,11H2,1H3