(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(6-ethanoyl-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(6-ethanoyl-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(6-acetyl-1,3-benzodioxol-5-yl)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enamide CAS Name: (E)-N-(6-acetyl-1,3-benzodioxol-5-yl)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenamide IUPAC Name: (E)-N-(6-acetyl-1,3-benzodioxol-5-yl)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enamide Traditional Name: (E)-N-(6-acetyl-1,3-benzodioxol-5-yl)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylamide Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C=CC3=CC(=C(C=C3)OCC#N)OC)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)/C=C/C3=CC(=C(C=C3)OCC#N)OC)OCO2

InChI

InChI=1S/C21H18N2O6/c1-13(24)15-10-19-20(29-12-28-19)11-16(15)23-21(25)6-4-14-3-5-17(27-8-7-22)18(9-14)26-2/h3-6,9-11H,8,12H2,1-2H3,(H,23,25)/b6-4+