2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-8-ethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-8-ethyl-quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]-8-ethyl-quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-8-ethyl-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-8-ethylquinoline-4-carboxylic acid Traditional Name: 6-bromo-8-ethyl-2-(4-phthalimidophenyl)cinchoninic acid Formula: C26H17BrN2O4 MolecularWeight: 501.32818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C(=O)O

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C(=O)O

InChI

InChI=1S/C26H17BrN2O4/c1-2-14-11-16(27)12-20-21(26(32)33)13-22(28-23(14)20)15-7-9-17(10-8-15)29-24(30)18-5-3-4-6-19(18)25(29)31/h3-13H,2H2,1H3,(H,32,33)