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

Systemtic Name: O3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 1-O-methyl 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-methyl ester Formula: C18H14N2O9 MolecularWeight: 402.31176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O9/c1-26-17(22)10-4-11(6-13(5-10)20(24)25)18(23)27-8-16(21)19-12-2-3-14-15(7-12)29-9-28-14/h2-7H,8-9H2,1H3,(H,19,21)