[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H10F6N2O3 MolecularWeight: 368.231219

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C14H10F6N2O3/c15-13(16,17)9-4-8(5-10(6-9)14(18,19)20)12(24)25-7-11(23)22-3-1-2-21/h4-6H,1,3,7H2,(H,22,23)