2-(1,3-benzodioxol-5-yl)-3-(5-bromanyl-2,4-dimethoxy-phenyl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-(5-bromanyl-2,4-dimethoxy-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-(5-bromo-2,4-dimethoxy-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-3-(5-bromo-2,4-dimethoxyphenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-(5-bromo-2,4-dimethoxyphenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-(5-bromo-2,4-dimethoxy-phenyl)acrylonitrile Formula: C18H14BrNO4 MolecularWeight: 388.21206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=C(C#N)C2=CC3=C(C=C2)OCO3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1C=C(C#N)C2=CC3=C(C=C2)OCO3)Br)OC

InChI

InChI=1S/C18H14BrNO4/c1-21-16-8-17(22-2)14(19)6-12(16)5-13(9-20)11-3-4-15-18(7-11)24-10-23-15/h3-8H,10H2,1-2H3