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

Systemtic Name: [2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-[4-(acetamidomethyl)phenyl]-2-oxo-ethyl] 5-bromo-2-fluoro-benzoate CAS Name: 5-bromo-2-fluorobenzoic acid [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 5-bromo-2-fluorobenzoate Traditional Name: 5-bromo-2-fluoro-benzoic acid [2-[4-(acetamidomethyl)phenyl]-2-keto-ethyl] ester Formula: C18H15BrFNO4 MolecularWeight: 408.218403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)Br)F

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C18H15BrFNO4/c1-11(22)21-9-12-2-4-13(5-3-12)17(23)10-25-18(24)15-8-14(19)6-7-16(15)20/h2-8H,9-10H2,1H3,(H,21,22)