[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]-6-chloranyl-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]-6-chloranyl-quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 6-chloro-2-[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 6-chloro-2-[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 6-chloro-2-[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 6-chloro-2-[4-(5,6-dibromo-1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]cinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C32H22Br2ClN3O7 MolecularWeight: 755.79398

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(CC(C1Br)Br)C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5)Cl)C(=C4)C(=O)OCC(=O)C6=CC(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2C(CC(C1Br)Br)C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5)Cl)C(=C4)C(=O)OCC(=O)C6=CC(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C32H22Br2ClN3O7/c33-25-12-22-23(13-26(25)34)31(41)37(30(22)40)19-7-4-16(5-8-19)28-14-24(21-11-18(35)6-9-27(21)36-28)32(42)45-15-29(39)17-2-1-3-20(10-17)38(43)44/h1-11,14,22-23,25-26H,12-13,15H2