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

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-bromanyl-4-fluoranyl-benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-bromo-4-fluoro-benzoate CAS Name: 2-bromo-4-fluorobenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-bromo-4-fluorobenzoate Traditional Name: 2-bromo-4-fluoro-benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C15H13BrFN3O3 MolecularWeight: 382.184423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)Br)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC(=C(C=C1F)Br)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C15H13BrFN3O3/c16-13-9-11(17)3-4-12(13)15(22)23-10-14(21)20(7-1-5-18)8-2-6-19/h3-4,9H,1-2,7-8,10H2