[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C17H13BrFNO5 MolecularWeight: 410.191223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrFNO5/c1-9(21)20-11-3-4-12(14(19)7-11)16(23)8-25-17(24)13-6-10(18)2-5-15(13)22/h2-7,22H,8H2,1H3,(H,20,21)