[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 8-chloranyl-2-(4-iodophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 8-chloranyl-2-(4-iodophenyl)quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 8-chloro-2-(4-iodophenyl)quinoline-4-carboxylate CAS Name: 8-chloro-2-(4-iodophenyl)-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 8-chloro-2-(4-iodophenyl)quinoline-4-carboxylate Traditional Name: 8-chloro-2-(4-iodophenyl)cinchoninic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C24H14BrClINO3 MolecularWeight: 606.63433

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)N=C(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)I

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)N=C(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)I

InChI

InChI=1S/C24H14BrClINO3/c25-16-8-4-15(5-9-16)22(29)13-31-24(30)19-12-21(14-6-10-17(27)11-7-14)28-23-18(19)2-1-3-20(23)26/h1-12H,13H2