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

Systemtic Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methoxy-2-oxidanyl-benzoate Openeye Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-4-methoxy-benzoate CAS Name: 2-hydroxy-4-methoxybenzoic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-4-methoxybenzoate Traditional Name: 2-hydroxy-4-methoxy-benzoic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H13BrN2O5 MolecularWeight: 405.19952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Br)O

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Br)O

InChI

InChI=1S/C17H13BrN2O5/c1-23-12-5-6-13(14(21)8-12)17(22)24-9-15-19-16(20-25-15)10-3-2-4-11(18)7-10/h2-8,21H,9H2,1H3