[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-bromanylbenzoate

Systemtic Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-bromanylbenzoate Openeye Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-bromobenzoate CAS Name: 2-bromobenzoic acid [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H15BrN2O5 MolecularWeight: 419.2261

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=CC=C3Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=CC=C3Br)OC

InChI

InChI=1S/C18H15BrN2O5/c1-23-14-8-7-11(9-15(14)24-2)17-20-16(26-21-17)10-25-18(22)12-5-3-4-6-13(12)19/h3-9H,10H2,1-2H3