O1-methyl O3-[2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-[(2-phenylacetyl)amino]ethyl] ester O1-methyl ester Formula: C19H16N2O8 MolecularWeight: 400.33894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O8/c1-28-18(24)13-8-14(10-15(9-13)21(26)27)19(25)29-11-17(23)20-16(22)7-12-5-3-2-4-6-12/h2-6,8-10H,7,11H2,1H3,(H,20,22,23)