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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

InChI

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