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

Systemtic Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C17H17BrN2O4 MolecularWeight: 393.23188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC3=NC(=NO3)CC(C)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC3=NC(=NO3)CC(C)C

InChI

InChI=1S/C17H17BrN2O4/c1-9(2)6-14-19-15(24-20-14)8-22-17(21)16-10(3)12-7-11(18)4-5-13(12)23-16/h4-5,7,9H,6,8H2,1-3H3