O1-ethyl O3-[2-oxidanylidene-2-[(3-oxidanylidene-1-phenyl-butan-2-yl)amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[2-oxidanylidene-2-[(3-oxidanylidene-1-phenyl-butan-2-yl)amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(1-benzyl-2-oxo-propyl)amino]-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(1-benzyl-2-keto-propyl)amino]-2-keto-ethyl] ester O1-ethyl ester Formula: C22H22N2O8 MolecularWeight: 442.41868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC(CC2=CC=CC=C2)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC(CC2=CC=CC=C2)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O8/c1-3-31-21(27)16-10-17(12-18(11-16)24(29)30)22(28)32-13-20(26)23-19(14(2)25)9-15-7-5-4-6-8-15/h4-8,10-12,19H,3,9,13H2,1-2H3,(H,23,26)