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

Systemtic Name: O3-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] O1-ethyl 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-ethyl ester IUPAC Name: 3-O-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H20N2O9 MolecularWeight: 444.3915

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O9/c1-3-29-20(25)14-7-15(9-16(8-14)23(27)28)21(26)32-12(2)19(24)22-10-13-4-5-17-18(6-13)31-11-30-17/h4-9,12H,3,10-11H2,1-2H3,(H,22,24)