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

Systemtic Name: O3-[2-(aminocarbonylamino)-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-(2-oxo-2-ureido-ethyl) 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(carbamoylamino)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(carbamoylamino)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(2-keto-2-ureido-ethyl) ester O1-methyl ester Formula: C12H11N3O8 MolecularWeight: 325.23104

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O8/c1-22-10(17)6-2-7(4-8(3-6)15(20)21)11(18)23-5-9(16)14-12(13)19/h2-4H,5H2,1H3,(H3,13,14,16,19)