[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-benzamidoethanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-benzamidoethanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-benzamidoacetate CAS Name: 2-benzamidoacetic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-benzamidoacetate Traditional Name: 2-benzamidoacetic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C17H18N4O4 MolecularWeight: 342.34922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C17H18N4O4/c18-8-4-10-21(11-5-9-19)15(22)13-25-16(23)12-20-17(24)14-6-2-1-3-7-14/h1-3,6-7H,4-5,10-13H2,(H,20,24)