2-[4-[(E)-3-(5-bromanyl-1-benzofuran-2-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-(5-bromanyl-1-benzofuran-2-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(5-bromobenzofuran-2-yl)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-(5-bromo-2-benzofuranyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(5-bromo-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(5-bromobenzofuran-2-yl)-3-keto-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C20H14BrNO4 MolecularWeight: 412.23346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)C2=CC3=C(O2)C=CC(=C3)Br)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC3=C(O2)C=CC(=C3)Br)OCC#N

InChI

InChI=1S/C20H14BrNO4/c1-24-20-10-13(3-6-18(20)25-9-8-22)2-5-16(23)19-12-14-11-15(21)4-7-17(14)26-19/h2-7,10-12H,9H2,1H3/b5-2+