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

Systemtic Name: O3-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(2-cyanoethylamino)-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2-cyanoethylamino)-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-(2-cyanoethylamino)-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2-cyanoethylamino)-2-keto-ethyl] ester O1-ethyl ester Formula: C15H15N3O7 MolecularWeight: 349.2955

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O7/c1-2-24-14(20)10-6-11(8-12(7-10)18(22)23)15(21)25-9-13(19)17-5-3-4-16/h6-8H,2-3,5,9H2,1H3,(H,17,19)