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

Systemtic Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3,4,5-trimethoxybenzoate Openeye Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C19H17BrN2O6 MolecularWeight: 449.25208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H17BrN2O6/c1-24-14-8-12(9-15(25-2)17(14)26-3)19(23)27-10-16-21-18(22-28-16)11-5-4-6-13(20)7-11/h4-9H,10H2,1-3H3