(2-bromanyl-4-cyano-6-ethoxy-phenyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 5-methoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-methoxy-3-methyl-2-benzofurancarboxylic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-methoxy-3-methyl-coumarilic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C20H16BrNO5 MolecularWeight: 430.24874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C

InChI

InChI=1S/C20H16BrNO5/c1-4-25-17-8-12(10-22)7-15(21)19(17)27-20(23)18-11(2)14-9-13(24-3)5-6-16(14)26-18/h5-9H,4H2,1-3H3