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

Systemtic Name: (E)-3-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide Openeye Name: (E)-3-(3-bromo-5-ethoxy-4-methoxy-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide CAS Name: (E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenamide IUPAC Name: (E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide Traditional Name: (E)-3-(3-bromo-5-ethoxy-4-methoxy-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acrylamide Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCCO3)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2)OCCO3)Br)OC

InChI

InChI=1S/C21H19BrN2O5/c1-3-27-19-10-13(9-16(22)20(19)26-2)8-14(12-23)21(25)24-15-4-5-17-18(11-15)29-7-6-28-17/h4-5,8-11H,3,6-7H2,1-2H3,(H,24,25)/b14-8+