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

Systemtic Name: O3-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(1,3-benzodioxol-5-ylmethylamino)-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-ylmethylamino)-1-oxopropan-2-yl] ester O1-methyl ester IUPAC Name: 3-O-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-1-methyl-2-(piperonylamino)ethyl] ester O1-methyl ester Formula: C20H18N2O9 MolecularWeight: 430.36492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O9/c1-11(18(23)21-9-12-3-4-16-17(5-12)30-10-29-16)31-20(25)14-6-13(19(24)28-2)7-15(8-14)22(26)27/h3-8,11H,9-10H2,1-2H3,(H,21,23)