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

Systemtic Name: O3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] O1-ethyl 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-ethyl ester IUPAC Name: 3-O-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 1-O-ethyl 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-ethyl ester Formula: C20H17NO9 MolecularWeight: 415.35028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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