[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-bromanyl-5-fluoranyl-benzoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-bromanyl-5-fluoranyl-benzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 2-bromo-5-fluoro-benzoate CAS Name: 2-bromo-5-fluorobenzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 2-bromo-5-fluorobenzoate Traditional Name: 2-bromo-5-fluoro-benzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C13H15BrFNO3 MolecularWeight: 332.165503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=C(C=CC(=C1)F)Br

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=C(C=CC(=C1)F)Br

InChI

InChI=1S/C13H15BrFNO3/c1-8(2)6-16-12(17)7-19-13(18)10-5-9(15)3-4-11(10)14/h3-5,8H,6-7H2,1-2H3,(H,16,17)