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

Systemtic Name: O3-[2-[(4-ethoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(4-ethoxy-4-oxo-butyl)amino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 1-O-methyl 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-methyl ester Formula: C17H20N2O9 MolecularWeight: 396.3487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O9/c1-3-27-15(21)5-4-6-18-14(20)10-28-17(23)12-7-11(16(22)26-2)8-13(9-12)19(24)25/h7-9H,3-6,10H2,1-2H3,(H,18,20)