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

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C12H11BrF3NO4 MolecularWeight: 370.11925

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC(F)(F)F)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC(F)(F)F)Br

InChI

InChI=1S/C12H11BrF3NO4/c1-20-9-3-2-7(4-8(9)13)11(19)21-5-10(18)17-6-12(14,15)16/h2-4H,5-6H2,1H3,(H,17,18)