[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(4-bromophenoxy)propanoate Traditional Name: 2-(4-bromophenoxy)propionic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C17H18BrN3O4 MolecularWeight: 408.24652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N(CCC#N)CCC#N)OC1=CC=C(C=C1)Br

Isomeric SMILES

CC(C(=O)OCC(=O)N(CCC#N)CCC#N)OC1=CC=C(C=C1)Br

InChI

InChI=1S/C17H18BrN3O4/c1-13(25-15-6-4-14(18)5-7-15)17(23)24-12-16(22)21(10-2-8-19)11-3-9-20/h4-7,13H,2-3,10-12H2,1H3