ethyl 4-[2,2,2-tris(fluoranyl)ethanoylcarbamoylamino]benzoate

Systemtic Name: ethyl 4-[2,2,2-tris(fluoranyl)ethanoylcarbamoylamino]benzoate Openeye Name: ethyl 4-[(2,2,2-trifluoroacetyl)carbamoylamino]benzoate CAS Name: 4-[[oxo-[(2,2,2-trifluoro-1-oxoethyl)amino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,2,2-trifluoroacetyl)carbamoylamino]benzoate Traditional Name: 4-[(2,2,2-trifluoroacetyl)carbamoylamino]benzoic acid ethyl ester Formula: C12H11F3N2O4 MolecularWeight: 304.22195

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC(=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC(=O)C(F)(F)F

InChI

InChI=1S/C12H11F3N2O4/c1-2-21-9(18)7-3-5-8(6-4-7)16-11(20)17-10(19)12(13,14)15/h3-6H,2H2,1H3,(H2,16,17,19,20)