[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-7-chloranyl-8-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-7-chloranyl-8-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 7-chloro-2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]-8-methyl-quinoline-4-carboxylate CAS Name: 7-chloro-2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-8-methyl-4-quinolinecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 7-chloro-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-8-methylquinoline-4-carboxylate Traditional Name: 7-chloro-8-methyl-2-(4-phthalimidophenyl)cinchoninic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C34H22ClN3O7 MolecularWeight: 620.00738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=CC(=C3C)Cl)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=CC(=C3C)Cl)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O)[N+](=O)[O-]

InChI

InChI=1S/C34H22ClN3O7/c1-18-7-8-21(15-29(18)38(43)44)30(39)17-45-34(42)26-16-28(36-31-19(2)27(35)14-13-23(26)31)20-9-11-22(12-10-20)37-32(40)24-5-3-4-6-25(24)33(37)41/h3-16H,17H2,1-2H3