O3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

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

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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)OCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C19H15NO9/c1-2-26-18(22)12-5-13(7-14(6-12)20(24)25)19(23)27-9-15(21)11-3-4-16-17(8-11)29-10-28-16/h3-8H,2,9-10H2,1H3