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

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

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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)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O9/c1-3-28-19(24)12-6-13(8-15(7-12)22(26)27)20(25)31-11(2)18(23)21-14-4-5-16-17(9-14)30-10-29-16/h4-9,11H,3,10H2,1-2H3,(H,21,23)