O3-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl] ester O1-methyl ester Formula: C20H16N2O10 MolecularWeight: 444.34844

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-])OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-])OCO2

InChI

InChI=1S/C20H16N2O10/c1-10(23)14-6-16-17(32-9-31-16)7-15(14)21-18(24)8-30-20(26)12-3-11(19(25)29-2)4-13(5-12)22(27)28/h3-7H,8-9H2,1-2H3,(H,21,24)