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

Systemtic Name: O1-ethyl O3-[2-(methylamino)-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-(methylamino)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(methylamino)-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-(methylamino)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-keto-2-(methylamino)ethyl] ester Formula: C13H14N2O7 MolecularWeight: 310.25946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O7/c1-3-21-12(17)8-4-9(6-10(5-8)15(19)20)13(18)22-7-11(16)14-2/h4-6H,3,7H2,1-2H3,(H,14,16)