ethyl 5-[(4-bromanyl-2-fluoranyl-phenyl)amino]-5-oxidanylidene-3-(trifluoromethyl)pentanoate

Systemtic Name: ethyl 5-[(4-bromanyl-2-fluoranyl-phenyl)amino]-5-oxidanylidene-3-(trifluoromethyl)pentanoate Openeye Name: ethyl 5-(4-bromo-2-fluoro-anilino)-5-oxo-3-(trifluoromethyl)pentanoate CAS Name: 5-(4-bromo-2-fluoroanilino)-5-oxo-3-(trifluoromethyl)pentanoic acid ethyl ester IUPAC Name: ethyl 5-(4-bromo-2-fluoroanilino)-5-oxo-3-(trifluoromethyl)pentanoate Traditional Name: 5-(4-bromo-2-fluoro-anilino)-5-keto-3-(trifluoromethyl)valeric acid ethyl ester Formula: C14H14BrF4NO3 MolecularWeight: 400.163473

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(=O)NC1=C(C=C(C=C1)Br)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)CC(CC(=O)NC1=C(C=C(C=C1)Br)F)C(F)(F)F

InChI

InChI=1S/C14H14BrF4NO3/c1-2-23-13(22)6-8(14(17,18)19)5-12(21)20-11-4-3-9(15)7-10(11)16/h3-4,7-8H,2,5-6H2,1H3,(H,20,21)