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

Systemtic Name: (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(4-methoxybenzoyl)prop-2-enenitrile CAS Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(4-methoxybenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-p-anisoyl-acrylonitrile Formula: C18H12BrNO4 MolecularWeight: 386.19618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C(=C/C2=CC3=C(C=C2Br)OCO3)/C#N

InChI

InChI=1S/C18H12BrNO4/c1-22-14-4-2-11(3-5-14)18(21)13(9-20)6-12-7-16-17(8-15(12)19)24-10-23-16/h2-8H,10H2,1H3/b13-6+