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

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(allylcarbamoylamino)-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-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: 1-O-methyl 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-methyl ester Formula: C15H15N3O8 MolecularWeight: 365.2949

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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)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O8/c1-3-4-16-15(22)17-12(19)8-26-14(21)10-5-9(13(20)25-2)6-11(7-10)18(23)24/h3,5-7H,1,4,8H2,2H3,(H2,16,17,19,22)