[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic 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 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H15ClN2O6 MolecularWeight: 414.7959

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC4=C(O3)C=CC(=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC4=C(O3)C=CC(=C4)Cl)OC

InChI

InChI=1S/C20H15ClN2O6/c1-25-15-5-3-11(8-16(15)26-2)19-22-18(29-23-19)10-27-20(24)17-9-12-7-13(21)4-6-14(12)28-17/h3-9H,10H2,1-2H3