[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(3-bromanylphenoxy)ethanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(3-bromanylphenoxy)ethanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(3-bromophenoxy)acetate CAS Name: 2-(3-bromophenoxy)acetic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(3-bromophenoxy)acetate Traditional Name: 2-(3-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(=C1)Br)OCC(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrN3O4/c17-13-4-1-5-14(10-13)23-12-16(22)24-11-15(21)20(8-2-6-18)9-3-7-19/h1,4-5,10H,2-3,8-9,11-12H2