(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C22H16BrN3O3 MolecularWeight: 450.28474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H16BrN3O3/c1-13(25)18(11-24)21(27)12-29-22(28)17-10-20(14-6-8-15(23)9-7-14)26-19-5-3-2-4-16(17)19/h2-10,18,25H,12H2,1H3