1,3-benzodioxol-5-yl 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid 1,3-benzodioxol-5-yl ester Formula: C23H14BrNO4 MolecularWeight: 448.26556

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br

InChI

InChI=1S/C23H14BrNO4/c24-15-7-5-14(6-8-15)20-12-18(17-3-1-2-4-19(17)25-20)23(26)29-16-9-10-21-22(11-16)28-13-27-21/h1-12H,13H2