(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoline-2-carboxylate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoline-2-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoline-2-carboxylate Traditional Name: quinaldic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C19H14BrNO4 MolecularWeight: 400.22276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C19H14BrNO4/c20-14-10-18-17(23-7-8-24-18)9-13(14)11-25-19(22)16-6-5-12-3-1-2-4-15(12)21-16/h1-6,9-10H,7-8,11H2