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

Systemtic Name: [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methyl-2-oxidanyl-benzoate Openeye Name: [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C17H13BrN2O4 MolecularWeight: 389.20012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)Br)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)Br)O

InChI

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