[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)ethanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)ethanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(4-bromophenyl)acetate CAS Name: 2-(4-bromophenyl)acetic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate Traditional Name: 2-(4-bromophenyl)acetic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C16H16BrN3O3 MolecularWeight: 378.22054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)OCC(=O)N(CCC#N)CCC#N)Br

Isomeric SMILES

C1=CC(=CC=C1CC(=O)OCC(=O)N(CCC#N)CCC#N)Br

InChI

InChI=1S/C16H16BrN3O3/c17-14-5-3-13(4-6-14)11-16(22)23-12-15(21)20(9-1-7-18)10-2-8-19/h3-6H,1-2,9-12H2