[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C24H16BrIN2O3 MolecularWeight: 587.20391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)OCC(=O)NC4=CC=C(C=C4)I

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)OCC(=O)NC4=CC=C(C=C4)I

InChI

InChI=1S/C24H16BrIN2O3/c25-16-5-3-4-15(12-16)22-13-20(19-6-1-2-7-21(19)28-22)24(30)31-14-23(29)27-18-10-8-17(26)9-11-18/h1-13H,14H2,(H,27,29)