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

Systemtic Name: O3-[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester O1-methyl ester Formula: C17H16N4O7 MolecularWeight: 388.33154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O7/c1-27-16(23)12-8-13(10-14(9-12)21(25)26)17(24)28-11-15(22)20(6-2-4-18)7-3-5-19/h8-10H,2-3,6-7,11H2,1H3