[2-[(E)-2-(6-bromanyl-1,3-benzodioxol-5-yl)ethenyl]quinolin-8-yl] ethanoate

Systemtic Name: [2-[(E)-2-(6-bromanyl-1,3-benzodioxol-5-yl)ethenyl]quinolin-8-yl] ethanoate Openeye Name: [2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)vinyl]-8-quinolyl] acetate CAS Name: acetic acid [2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-8-quinolinyl] ester IUPAC Name: [2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]quinolin-8-yl] acetate Traditional Name: acetic acid [2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)vinyl]-8-quinolyl] ester Formula: C20H14BrNO4 MolecularWeight: 412.23346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC2=C1N=C(C=C2)C=CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CC(=O)OC1=CC=CC2=C1N=C(C=C2)/C=C/C3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C20H14BrNO4/c1-12(23)26-17-4-2-3-13-5-7-15(22-20(13)17)8-6-14-9-18-19(10-16(14)21)25-11-24-18/h2-10H,11H2,1H3/b8-6+