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

Systemtic Name: (E)-3-(5-bromanyl-2-pentoxy-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-pentoxy-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-pentoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-pentoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide Traditional Name: (E)-3-(2-amoxy-5-bromo-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acrylamide Formula: C23H23BrN2O4 MolecularWeight: 471.34372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C23H23BrN2O4/c1-2-3-4-9-28-20-7-5-18(24)13-16(20)12-17(15-25)23(27)26-19-6-8-21-22(14-19)30-11-10-29-21/h5-8,12-14H,2-4,9-11H2,1H3,(H,26,27)/b17-12+