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

Systemtic Name: O1-ethyl O3-[2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-keto-2-[(2-phenylacetyl)amino]ethyl] ester Formula: C20H18N2O8 MolecularWeight: 414.36552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O8/c1-2-29-19(25)14-9-15(11-16(10-14)22(27)28)20(26)30-12-18(24)21-17(23)8-13-6-4-3-5-7-13/h3-7,9-11H,2,8,12H2,1H3,(H,21,23,24)