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

Systemtic Name: 1-[3-(3-fluoranyl-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl 2-bromanyl-4-fluoranyl-benzoate Openeye Name: 1-[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl 2-bromo-4-fluoro-benzoate CAS Name: 2-bromo-4-fluorobenzoic acid 1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl ester IUPAC Name: 1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl 2-bromo-4-fluorobenzoate Traditional Name: 2-bromo-4-fluoro-benzoic acid 1-[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl ester Formula: C18H13BrF2N2O3 MolecularWeight: 423.208226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NOC(=N2)C(C)OC(=O)C3=C(C=C(C=C3)F)Br)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NOC(=N2)C(C)OC(=O)C3=C(C=C(C=C3)F)Br)F

InChI

InChI=1S/C18H13BrF2N2O3/c1-9-3-4-11(7-15(9)21)16-22-17(26-23-16)10(2)25-18(24)13-6-5-12(20)8-14(13)19/h3-8,10H,1-2H3