[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C14H15BrF3NO5 MolecularWeight: 414.17181

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)NCC(F)(F)F)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)NCC(F)(F)F)Br)OC

InChI

InChI=1S/C14H15BrF3NO5/c1-3-23-10-5-8(4-9(15)12(10)22-2)13(21)24-6-11(20)19-7-14(16,17)18/h4-5H,3,6-7H2,1-2H3,(H,19,20)