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

Systemtic Name: O1-methyl 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-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] ester IUPAC Name: 1-O-methyl 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-methyl ester Formula: C21H20N2O8 MolecularWeight: 428.3921

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O8/c1-13(24)18(8-14-6-4-3-5-7-14)22-19(25)12-31-21(27)16-9-15(20(26)30-2)10-17(11-16)23(28)29/h3-7,9-11,18H,8,12H2,1-2H3,(H,22,25)