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

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-[4-[5,6-bis(bromanyl)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-8-methyl-quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 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: 2-[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methyl-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 2-[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methylquinoline-4-carboxylate Traditional Name: 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-(3-nitrophenyl)ethyl] ester Formula: C33H25Br2N3O7 MolecularWeight: 735.3755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)N5C(=O)C6CC(C(CC6C5=O)Br)Br

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)N5C(=O)C6CC(C(CC6C5=O)Br)Br

InChI

InChI=1S/C33H25Br2N3O7/c1-17-4-2-7-22-25(33(42)45-16-29(39)19-5-3-6-21(12-19)38(43)44)15-28(36-30(17)22)18-8-10-20(11-9-18)37-31(40)23-13-26(34)27(35)14-24(23)32(37)41/h2-12,15,23-24,26-27H,13-14,16H2,1H3