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

Systemtic Name: O3-[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester O1-methyl ester Formula: C17H15N3O9 MolecularWeight: 405.3157

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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)NCC2=CC=CO2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NCC2=CC=CO2

InChI

InChI=1S/C17H15N3O9/c1-27-15(22)10-5-11(7-12(6-10)20(25)26)16(23)29-9-14(21)19-17(24)18-8-13-3-2-4-28-13/h2-7H,8-9H2,1H3,(H2,18,19,21,24)