(3,3-dimethyl-2-oxidanylidene-butyl) 6-bromanyl-2-(2,4-dichlorophenyl)quinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 6-bromanyl-2-(2,4-dichlorophenyl)quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 6-bromo-2-(2,4-dichlorophenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(2,4-dichlorophenyl)-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 6-bromo-2-(2,4-dichlorophenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(2,4-dichlorophenyl)cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H18BrCl2NO3 MolecularWeight: 495.19322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H18BrCl2NO3/c1-22(2,3)20(27)11-29-21(28)16-10-19(14-6-5-13(24)9-17(14)25)26-18-7-4-12(23)8-15(16)18/h4-10H,11H2,1-3H3