(E)-3-(2-bromanyl-4,5-dimethoxy-phenyl)-2-cyano-prop-2-enoate; pyridin-1-ium

Systemtic Name: (E)-3-(2-bromanyl-4,5-dimethoxy-phenyl)-2-cyano-prop-2-enoate; pyridin-1-ium Openeye Name: (E)-3-(2-bromo-4,5-dimethoxy-phenyl)-2-cyano-prop-2-enoate; pyridin-1-ium CAS Name: (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-2-propenoate; pyridin-1-ium IUPAC Name: (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoate; pyridin-1-ium Traditional Name: (E)-3-(2-bromo-4,5-dimethoxy-phenyl)-2-cyano-acrylate; pyridin-1-ium Formula: C17H15BrN2O4 MolecularWeight: 391.216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C(=O)[O-])Br)OC.C1=CC=[NH+]C=C1

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\C#N)/C(=O)[O-])Br)OC.C1=CC=[NH+]C=C1

InChI

InChI=1S/C12H10BrNO4.C5H5N/c1-17-10-4-7(3-8(6-14)12(15)16)9(13)5-11(10)18-2;1-2-4-6-5-3-1/h3-5H,1-2H3,(H,15,16);1-5H/b8-3+;