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

Systemtic Name: O1-ethyl O3-[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(allylcarbamoylamino)-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-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(allylcarbamoylamino)-2-keto-ethyl] ester O1-ethyl ester Formula: C16H17N3O8 MolecularWeight: 379.32148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O8/c1-3-5-17-16(23)18-13(20)9-27-15(22)11-6-10(14(21)26-4-2)7-12(8-11)19(24)25/h3,6-8H,1,4-5,9H2,2H3,(H2,17,18,20,23)