[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-bromanyl-2-fluoranyl-benzoate Openeye Name: [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl 5-bromo-2-fluoro-benzoate CAS Name: 5-bromo-2-fluorobenzoic acid [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-bromo-2-fluorobenzoate Traditional Name: 5-bromo-2-fluoro-benzoic acid [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H12BrFN2O3 MolecularWeight: 391.191183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=C(C=CC(=C3)Br)F

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C17H12BrFN2O3/c1-10-4-2-3-5-12(10)16-20-15(24-21-16)9-23-17(22)13-8-11(18)6-7-14(13)19/h2-8H,9H2,1H3