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

Systemtic Name: O1-methyl O3-[2-(methylamino)-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-(methylamino)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-(methylamino)-2-oxoethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-(methylamino)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-(methylamino)ethyl] ester O1-methyl ester Formula: C12H12N2O7 MolecularWeight: 296.23288

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)C1=CC(=CC(=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)COC(=O)C1=CC(=CC(=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O7/c1-13-10(15)6-21-12(17)8-3-7(11(16)20-2)4-9(5-8)14(18)19/h3-5H,6H2,1-2H3,(H,13,15)