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

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-(trifluoromethyloxy)benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 4-(trifluoromethoxy)benzoate CAS Name: 4-(trifluoromethoxy)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate Traditional Name: 4-(trifluoromethoxy)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C16H14F3N3O4 MolecularWeight: 369.29527

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)N(CCC#N)CCC#N)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)N(CCC#N)CCC#N)OC(F)(F)F

InChI

InChI=1S/C16H14F3N3O4/c17-16(18,19)26-13-5-3-12(4-6-13)15(24)25-11-14(23)22(9-1-7-20)10-2-8-21/h3-6H,1-2,9-11H2