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

Systemtic Name: 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-(4-phthalimidophenyl)cinchoninic acid Formula: C24H13BrN2O4 MolecularWeight: 473.27502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5)Br)C(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5)Br)C(=C4)C(=O)O

InChI

InChI=1S/C24H13BrN2O4/c25-14-7-10-20-18(11-14)19(24(30)31)12-21(26-20)13-5-8-15(9-6-13)27-22(28)16-3-1-2-4-17(16)23(27)29/h1-12H,(H,30,31)