[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-8-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-8-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(2,4-dichlorophenyl)-2-oxo-ethyl] 6-bromo-8-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-8-methyl-2-phenyl-4-quinolinecarboxylic acid [2-(2,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dichlorophenyl)-2-oxoethyl] 6-bromo-8-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-8-methyl-2-phenyl-cinchoninic acid [2-(2,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C25H16BrCl2NO3 MolecularWeight: 529.20944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H16BrCl2NO3/c1-14-9-16(26)10-19-20(12-22(29-24(14)19)15-5-3-2-4-6-15)25(31)32-13-23(30)18-8-7-17(27)11-21(18)28/h2-12H,13H2,1H3