[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C15H13ClFN3O3 MolecularWeight: 337.733423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C(=O)OCC(=O)N(CCC#N)CCC#N)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C(=O)OCC(=O)N(CCC#N)CCC#N)F

InChI

InChI=1S/C15H13ClFN3O3/c16-11-4-1-5-12(17)14(11)15(22)23-10-13(21)20(8-2-6-18)9-3-7-19/h1,4-5H,2-3,8-10H2