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

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C15H17BrF3NO5 MolecularWeight: 428.19839

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NCC(F)(F)F)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NCC(F)(F)F)OC

InChI

InChI=1S/C15H17BrF3NO5/c1-3-4-24-13-10(16)5-9(6-11(13)23-2)14(22)25-7-12(21)20-8-15(17,18)19/h5-6H,3-4,7-8H2,1-2H3,(H,20,21)