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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(O2)COC(=O)C3=C(C=CC(=C3)F)Br

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(O2)COC(=O)C3=C(C=CC(=C3)F)Br

InChI

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