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

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)ethanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)acetic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(4-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C16H16BrN3O4 MolecularWeight: 394.21994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(=O)OCC(=O)N(CCC#N)CCC#N)Br

Isomeric SMILES

C1=CC(=CC=C1OCC(=O)OCC(=O)N(CCC#N)CCC#N)Br

InChI

InChI=1S/C16H16BrN3O4/c17-13-3-5-14(6-4-13)23-12-16(22)24-11-15(21)20(9-1-7-18)10-2-8-19/h3-6H,1-2,9-12H2