(Z)-N-(1,3-benzodioxol-5-yl)-3-[5-bromanyl-2-(2-methylpropoxy)phenyl]-2-cyano-prop-2-enamide

Systemtic Name: (Z)-N-(1,3-benzodioxol-5-yl)-3-[5-bromanyl-2-(2-methylpropoxy)phenyl]-2-cyano-prop-2-enamide Openeye Name: (Z)-N-(1,3-benzodioxol-5-yl)-3-(5-bromo-2-isobutoxy-phenyl)-2-cyano-prop-2-enamide CAS Name: (Z)-N-(1,3-benzodioxol-5-yl)-3-[5-bromo-2-(2-methylpropoxy)phenyl]-2-cyano-2-propenamide IUPAC Name: (Z)-N-(1,3-benzodioxol-5-yl)-3-[5-bromo-2-(2-methylpropoxy)phenyl]-2-cyanoprop-2-enamide Traditional Name: (Z)-N-(1,3-benzodioxol-5-yl)-3-(5-bromo-2-isobutoxy-phenyl)-2-cyano-acrylamide Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Br)/C=C(/C#N)\C(=O)NC2=CC3=C(C=C2)OCO3

InChI

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