(6-bromanyl-1,3-benzodioxol-5-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C20H14BrNO4 MolecularWeight: 412.23346

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)COC(=O)C=CC3=CC=CC4=C3N=CC=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)COC(=O)/C=C/C3=CC=CC4=C3N=CC=C4)Br

InChI

InChI=1S/C20H14BrNO4/c21-16-10-18-17(25-12-26-18)9-15(16)11-24-19(23)7-6-14-4-1-3-13-5-2-8-22-20(13)14/h1-10H,11-12H2/b7-6+