(4-acetamidophenyl) 5-chloranyl-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate

Systemtic Name: (4-acetamidophenyl) 5-chloranyl-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate Openeye Name: (4-acetamidophenyl) 5-chloro-2-[[2-(trifluoromethyl)-4-pyridyl]amino]benzoate CAS Name: 5-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 5-chloro-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate Traditional Name: 5-chloro-2-[[2-(trifluoromethyl)-4-pyridyl]amino]benzoic acid (4-acetamidophenyl) ester Formula: C21H15ClF3N3O3 MolecularWeight: 449.81031

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)Cl)NC3=CC(=NC=C3)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)Cl)NC3=CC(=NC=C3)C(F)(F)F

InChI

InChI=1S/C21H15ClF3N3O3/c1-12(29)27-14-3-5-16(6-4-14)31-20(30)17-10-13(22)2-7-18(17)28-15-8-9-26-19(11-15)21(23,24)25/h2-11H,1H3,(H,26,28)(H,27,29)