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

Systemtic Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-chloro-3-methyl-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-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-methyl-coumarilic acid [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H17ClN2O6 MolecularWeight: 428.82248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OCC3=NC(=NO3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OCC3=NC(=NO3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H17ClN2O6/c1-11-14-9-13(22)5-7-15(14)29-19(11)21(25)28-10-18-23-20(24-30-18)12-4-6-16(26-2)17(8-12)27-3/h4-9H,10H2,1-3H3