O3-[2-[(4-ethoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[(4-ethoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(4-ethoxy-4-oxo-butyl)amino]-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(4-ethoxy-4-keto-butyl)amino]-2-keto-ethyl] ester O1-ethyl ester Formula: C18H22N2O9 MolecularWeight: 410.37528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)CCCNC(=O)COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C18H22N2O9/c1-3-27-16(22)6-5-7-19-15(21)11-29-18(24)13-8-12(17(23)28-4-2)9-14(10-13)20(25)26/h8-10H,3-7,11H2,1-2H3,(H,19,21)