(E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-(2-methoxyphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-(2-methoxyphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-(2-methoxybenzoyl)prop-2-enenitrile CAS Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-[(2-methoxyphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-(2-methoxybenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-o-anisoyl-acrylonitrile Formula: C18H12BrNO4 MolecularWeight: 386.19618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)C(=CC2=CC3=C(C(=C2)Br)OCO3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H12BrNO4/c1-22-15-5-3-2-4-13(15)17(21)12(9-20)6-11-7-14(19)18-16(8-11)23-10-24-18/h2-8H,10H2,1H3/b12-6+