(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C16H15BrN2O4 MolecularWeight: 379.2053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN2O4/c1-8(2)15-18-13(23-19-15)7-21-16(20)14-9(3)11-6-10(17)4-5-12(11)22-14/h4-6,8H,7H2,1-3H3