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

Systemtic Name: O3-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(2-cyanoethylamino)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2-cyanoethylamino)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(2-cyanoethylamino)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2-cyanoethylamino)-2-keto-ethyl] ester O1-methyl ester Formula: C14H13N3O7 MolecularWeight: 335.26892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O7/c1-23-13(19)9-5-10(7-11(6-9)17(21)22)14(20)24-8-12(18)16-4-2-3-15/h5-7H,2,4,8H2,1H3,(H,16,18)