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

Systemtic Name: O1-ethyl O3-[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(benzylcarbamoylamino)-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-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: 3-O-[2-(benzylcarbamoylamino)-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(benzylcarbamoylamino)-2-keto-ethyl] ester O1-ethyl ester Formula: C20H19N3O8 MolecularWeight: 429.38016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O8/c1-2-30-18(25)14-8-15(10-16(9-14)23(28)29)19(26)31-12-17(24)22-20(27)21-11-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H2,21,22,24,27)