[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-(2-acetamidoethyl)benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-(2-acetamidoethyl)benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 4-(2-acetamidoethyl)benzoate CAS Name: 4-(2-acetamidoethyl)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-(2-acetamidoethyl)benzoate Traditional Name: 4-(2-acetamidoethyl)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C19H22N4O4/c1-15(24)22-11-8-16-4-6-17(7-5-16)19(26)27-14-18(25)23(12-2-9-20)13-3-10-21/h4-7H,2-3,8,11-14H2,1H3,(H,22,24)