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

Systemtic Name: (E)-3-(5-bromanyl-2-propoxy-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-propoxy-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-propoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-propoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-propoxy-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acrylamide Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H19BrN2O4/c1-2-7-26-18-5-3-16(22)11-14(18)10-15(13-23)21(25)24-17-4-6-19-20(12-17)28-9-8-27-19/h3-6,10-12H,2,7-9H2,1H3,(H,24,25)/b15-10+