(2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 2-(5,6-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(5,6-dimethyl-3-benzofuranyl)acetic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(5,6-dimethylbenzofuran-3-yl)acetic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C21H18BrNO4 MolecularWeight: 428.27592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CC2=COC3=CC(=C(C=C32)C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CC2=COC3=CC(=C(C=C32)C)C

InChI

InChI=1S/C21H18BrNO4/c1-4-25-19-8-14(10-23)7-17(22)21(19)27-20(24)9-15-11-26-18-6-13(3)12(2)5-16(15)18/h5-8,11H,4,9H2,1-3H3