[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(2-nitrophenoxy)ethanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(2-nitrophenoxy)ethanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(2-nitrophenoxy)acetate CAS Name: 2-(2-nitrophenoxy)acetic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate Traditional Name: 2-(2-nitrophenoxy)acetic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C16H16N4O6 MolecularWeight: 360.32144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O6/c17-7-3-9-19(10-4-8-18)15(21)11-26-16(22)12-25-14-6-2-1-5-13(14)20(23)24/h1-2,5-6H,3-4,9-12H2