[2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]quinoline-4-carboxylate

Systemtic Name: [2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]quinoline-4-carboxylate Openeye Name: [2-(4-chloro-3-nitro-phenyl)-2-oxo-ethyl] 2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-4-quinolinecarboxylic acid [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 2-(4-phthalimidophenyl)cinchoninic acid [2-(4-chloro-3-nitro-phenyl)-2-keto-ethyl] ester Formula: C32H18ClN3O7 MolecularWeight: 591.95422

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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=CC=CC=C5C(=C4)C(=O)OCC(=O)C6=CC(=C(C=C6)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)OCC(=O)C6=CC(=C(C=C6)Cl)[N+](=O)[O-]

InChI

InChI=1S/C32H18ClN3O7/c33-25-14-11-19(15-28(25)36(41)42)29(37)17-43-32(40)24-16-27(34-26-8-4-3-5-21(24)26)18-9-12-20(13-10-18)35-30(38)22-6-1-2-7-23(22)31(35)39/h1-16H,17H2