[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-4-(trifluoromethyl)benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-4-(trifluoromethyl)benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-amino-4-(trifluoromethyl)benzoate CAS Name: 2-amino-4-(trifluoromethyl)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-amino-4-(trifluoromethyl)benzoate Traditional Name: 2-amino-4-(trifluoromethyl)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C16H16F3N3O3 MolecularWeight: 355.31175

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=C(C=C(C=C2)C(F)(F)F)N

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=C(C=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C16H16F3N3O3/c17-16(18,19)10-3-4-11(12(21)7-10)14(24)25-8-13(23)22-15(9-20)5-1-2-6-15/h3-4,7H,1-2,5-6,8,21H2,(H,22,23)