[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-7-chloranyl-8-methyl-2-[4-[4-methyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]quinoline-4-carboxylate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-7-chloranyl-8-methyl-2-[4-[4-methyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]quinoline-4-carboxylate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 6-bromo-7-chloro-8-methyl-2-[4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 6-bromo-7-chloro-8-methyl-2-[4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 6-bromo-7-chloro-8-methyl-2-[4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-7-chloro-2-[4-(1,3-diketo-4-methyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-methyl-cinchoninic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C34H25BrClN3O7 MolecularWeight: 702.9352

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C(=C(C=C5C(=C4)C(=O)OCC(=O)C6=CC=C(C=C6)[N+](=O)[O-])Br)Cl)C

Isomeric SMILES

CC1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C(=C(C=C5C(=C4)C(=O)OCC(=O)C6=CC=C(C=C6)[N+](=O)[O-])Br)Cl)C

InChI

InChI=1S/C34H25BrClN3O7/c1-17-4-3-5-23-29(17)33(42)38(32(23)41)21-10-6-19(7-11-21)27-15-25(24-14-26(35)30(36)18(2)31(24)37-27)34(43)46-16-28(40)20-8-12-22(13-9-20)39(44)45/h3-4,6-15,17,23,29H,5,16H2,1-2H3