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

Systemtic Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2,4,5-trimethoxybenzoate Openeye Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-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 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-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(=C(C=C1C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Br)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Br)OC)OC

InChI

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