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

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-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-2-ylprop-2-enoate Traditional Name: (E)-3-(2-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=NC4=CC=CC=C4C=C3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)COC(=O)/C=C/C3=NC4=CC=CC=C4C=C3)Br

InChI

InChI=1S/C20H14BrNO4/c21-16-10-19-18(25-12-26-19)9-14(16)11-24-20(23)8-7-15-6-5-13-3-1-2-4-17(13)22-15/h1-10H,11-12H2/b8-7+