[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylcarbamoylamino]ethyl] 2-azanyl-5-bromanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylcarbamoylamino]ethyl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [2-oxo-2-[[oxo-(2,2,2-trifluoroethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [2-keto-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] ester Formula: C12H11BrF3N3O4 MolecularWeight: 398.13265

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)OCC(=O)NC(=O)NCC(F)(F)F)N

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)OCC(=O)NC(=O)NCC(F)(F)F)N

InChI

InChI=1S/C12H11BrF3N3O4/c13-6-1-2-8(17)7(3-6)10(21)23-4-9(20)19-11(22)18-5-12(14,15)16/h1-3H,4-5,17H2,(H2,18,19,20,22)