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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O9/c1-2-27-18(23)11-5-12(7-14(6-11)21(25)26)19(24)28-9-17(22)20-13-3-4-15-16(8-13)30-10-29-15/h3-8H,2,9-10H2,1H3,(H,20,22)