(E)-3-[3,5-bis(bromanyl)-2,4-dimethoxy-phenyl]-2-cyano-prop-2-enoic acid

Systemtic Name: (E)-3-[3,5-bis(bromanyl)-2,4-dimethoxy-phenyl]-2-cyano-prop-2-enoic acid Openeye Name: (E)-2-cyano-3-(3,5-dibromo-2,4-dimethoxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-cyano-3-(3,5-dibromo-2,4-dimethoxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-cyano-3-(3,5-dibromo-2,4-dimethoxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-cyano-3-(3,5-dibromo-2,4-dimethoxy-phenyl)acrylic acid Formula: C12H9Br2NO4 MolecularWeight: 391.01216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1C=C(C#N)C(=O)O)Br)OC)Br

Isomeric SMILES

COC1=C(C(=C(C=C1/C=C(\C#N)/C(=O)O)Br)OC)Br

InChI

InChI=1S/C12H9Br2NO4/c1-18-10-6(3-7(5-15)12(16)17)4-8(13)11(19-2)9(10)14/h3-4H,1-2H3,(H,16,17)/b7-3+