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

Systemtic Name: 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-8-methyl-quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]-8-methyl-quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-8-methyl-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-8-methylquinoline-4-carboxylic acid Traditional Name: 6-bromo-8-methyl-2-(4-phthalimidophenyl)cinchoninic acid Formula: C25H15BrN2O4 MolecularWeight: 487.3016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C(=O)O

Isomeric SMILES

CC1=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/C25H15BrN2O4/c1-13-10-15(26)11-19-20(25(31)32)12-21(27-22(13)19)14-6-8-16(9-7-14)28-23(29)17-4-2-3-5-18(17)24(28)30/h2-12H,1H3,(H,31,32)