2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-7-chloranyl-8-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-7-chloranyl-8-methyl-quinoline-4-carboxylic acid Openeye Name: 6-bromo-7-chloro-2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]-8-methyl-quinoline-4-carboxylic acid CAS Name: 6-bromo-7-chloro-2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-8-methyl-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-7-chloro-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-8-methylquinoline-4-carboxylic acid Traditional Name: 6-bromo-7-chloro-8-methyl-2-(4-phthalimidophenyl)cinchoninic acid Formula: C25H14BrClN2O4 MolecularWeight: 521.74666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C(=O)O

InChI

InChI=1S/C25H14BrClN2O4/c1-12-21(27)19(26)10-17-18(25(32)33)11-20(28-22(12)17)13-6-8-14(9-7-13)29-23(30)15-4-2-3-5-16(15)24(29)31/h2-11H,1H3,(H,32,33)