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

Systemtic Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic 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-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H13BrN2O4 MolecularWeight: 389.20012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN2O4/c1-10-4-2-3-5-12(10)16-19-15(24-20-16)9-23-17(22)13-8-11(18)6-7-14(13)21/h2-8,21H,9H2,1H3