(E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile Openeye Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile CAS Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)acrylonitrile Formula: C18H14BrNO4 MolecularWeight: 388.21206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=CC2=CC3=C(C=C2Br)OCO3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C(=C\C2=CC3=C(C=C2Br)OCO3)/C#N)OC

InChI

InChI=1S/C18H14BrNO4/c1-21-15-4-3-11(6-16(15)22-2)13(9-20)5-12-7-17-18(8-14(12)19)24-10-23-17/h3-8H,10H2,1-2H3/b13-5-