[1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-bromanyl-2-fluoranyl-benzoate Openeye Name: [1-methyl-2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 4-bromo-2-fluoro-benzoate CAS Name: 4-bromo-2-fluorobenzoic acid [1-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 4-bromo-2-fluorobenzoate Traditional Name: 4-bromo-2-fluoro-benzoic acid [2-[4-(isobutyrylamino)phenyl]-2-keto-1-methyl-ethyl] ester Formula: C20H19BrFNO4 MolecularWeight: 436.271563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C20H19BrFNO4/c1-11(2)19(25)23-15-7-4-13(5-8-15)18(24)12(3)27-20(26)16-9-6-14(21)10-17(16)22/h4-12H,1-3H3,(H,23,25)