(6-bromanyl-1,3-benzodioxol-5-yl)methyl quinoline-2-carboxylate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl quinoline-2-carboxylate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl quinoline-2-carboxylate Traditional Name: quinaldic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C18H12BrNO4 MolecularWeight: 386.19618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12BrNO4/c19-13-8-17-16(23-10-24-17)7-12(13)9-22-18(21)15-6-5-11-3-1-2-4-14(11)20-15/h1-8H,9-10H2