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

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-8-methyl-quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 6-bromo-2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-8-methyl-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 6-bromo-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-8-methylquinoline-4-carboxylate Traditional Name: 6-bromo-8-methyl-2-(4-phthalimidophenyl)cinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C33H20BrN3O7 MolecularWeight: 650.4318

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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)OCC(=O)C6=CC(=CC=C6)[N+](=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)OCC(=O)C6=CC(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C33H20BrN3O7/c1-18-13-21(34)15-26-27(33(41)44-17-29(38)20-5-4-6-23(14-20)37(42)43)16-28(35-30(18)26)19-9-11-22(12-10-19)36-31(39)24-7-2-3-8-25(24)32(36)40/h2-16H,17H2,1H3