[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(trifluoromethyl)benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(trifluoromethyl)benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C16H14F3N3O3 MolecularWeight: 353.29587

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14F3N3O3/c17-16(18,19)13-5-1-4-12(10-13)15(24)25-11-14(23)22(8-2-6-20)9-3-7-21/h1,4-5,10H,2-3,8-9,11H2