(E)-3-(2-bromanyl-4,5-dimethoxy-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide

Systemtic Name: (E)-3-(2-bromanyl-4,5-dimethoxy-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide Openeye Name: (E)-3-(2-bromo-4,5-dimethoxy-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide CAS Name: (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenamide IUPAC Name: (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide Traditional Name: (E)-3-(2-bromo-4,5-dimethoxy-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acrylamide Formula: C20H17BrN2O5 MolecularWeight: 445.26338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCCO3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2)OCCO3)Br)OC

InChI

InChI=1S/C20H17BrN2O5/c1-25-17-8-12(15(21)10-18(17)26-2)7-13(11-22)20(24)23-14-3-4-16-19(9-14)28-6-5-27-16/h3-4,7-10H,5-6H2,1-2H3,(H,23,24)/b13-7+