[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[4-[5,6-bis(bromanyl)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-7-chloranyl-8-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[4-[5,6-bis(bromanyl)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-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-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methyl-quinoline-4-carboxylate CAS Name: 7-chloro-2-[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)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-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methylquinoline-4-carboxylate Traditional Name: 7-chloro-2-[4-(5,6-dibromo-1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methyl-cinchoninic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C34H26Br2ClN3O7 MolecularWeight: 783.84714

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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)C6CC(C(CC6C5=O)Br)Br)[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)C6CC(C(CC6C5=O)Br)Br)[N+](=O)[O-]

InChI

InChI=1S/C34H26Br2ClN3O7/c1-16-3-4-19(11-29(16)40(45)46)30(41)15-47-34(44)24-14-28(38-31-17(2)27(37)10-9-21(24)31)18-5-7-20(8-6-18)39-32(42)22-12-25(35)26(36)13-23(22)33(39)43/h3-11,14,22-23,25-26H,12-13,15H2,1-2H3