[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(methylamino)benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(methylamino)benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(methylamino)benzoate CAS Name: 2-(methylamino)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(methylamino)benzoate Traditional Name: 2-(methylamino)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C16H18N4O3 MolecularWeight: 314.33912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC=C1C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CNC1=CC=CC=C1C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C16H18N4O3/c1-19-14-7-3-2-6-13(14)16(22)23-12-15(21)20(10-4-8-17)11-5-9-18/h2-3,6-7,19H,4-5,10-12H2,1H3