O3-(2-azanyl-2-oxidanylidene-ethyl) O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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