(5-bromanyl-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate

Systemtic Name: (5-bromanyl-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate Openeye Name: (5-bromo-2-ethoxycarbonyl-benzofuran-3-yl)methyl 3-methylisoxazole-5-carboxylate CAS Name: 3-methyl-5-isoxazolecarboxylic acid (5-bromo-2-ethoxycarbonyl-3-benzofuranyl)methyl ester IUPAC Name: (5-bromo-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate Traditional Name: 3-methylisoxazole-5-carboxylic acid (5-bromo-2-carbethoxy-benzofuran-3-yl)methyl ester Formula: C17H14BrNO6 MolecularWeight: 408.20016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)COC(=O)C3=CC(=NO3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)COC(=O)C3=CC(=NO3)C

InChI

InChI=1S/C17H14BrNO6/c1-3-22-17(21)15-12(11-7-10(18)4-5-13(11)24-15)8-23-16(20)14-6-9(2)19-25-14/h4-7H,3,8H2,1-2H3