ethyl 3-bromanyl-4-[3,3,3-tris(fluoranyl)propanoylamino]benzoate

Systemtic Name: ethyl 3-bromanyl-4-[3,3,3-tris(fluoranyl)propanoylamino]benzoate Openeye Name: ethyl 3-bromo-4-(3,3,3-trifluoropropanoylamino)benzoate CAS Name: 3-bromo-4-[(3,3,3-trifluoro-1-oxopropyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-(3,3,3-trifluoropropanoylamino)benzoate Traditional Name: 3-bromo-4-(3,3,3-trifluoropropanoylamino)benzoic acid ethyl ester Formula: C12H11BrF3NO3 MolecularWeight: 354.11985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11BrF3NO3/c1-2-20-11(19)7-3-4-9(8(13)5-7)17-10(18)6-12(14,15)16/h3-5H,2,6H2,1H3,(H,17,18)