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

Systemtic Name: O3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-(piperonylamino)ethyl] ester O1-methyl ester Formula: C19H16N2O9 MolecularWeight: 416.33834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H16N2O9/c1-27-18(23)12-5-13(7-14(6-12)21(25)26)19(24)28-9-17(22)20-8-11-2-3-15-16(4-11)30-10-29-15/h2-7H,8-10H2,1H3,(H,20,22)