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

Systemtic Name: [2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 6-bromanyl-8-ethyl-2-[4-[5-methyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]quinoline-4-carboxylate Openeye Name: [2-(4-chloro-3-nitro-phenyl)-2-oxo-ethyl] 6-bromo-8-ethyl-2-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 6-bromo-8-ethyl-2-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 6-bromo-8-ethyl-2-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[4-(1,3-diketo-5-methyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-ethyl-cinchoninic acid [2-(4-chloro-3-nitro-phenyl)-2-keto-ethyl] ester Formula: C35H29BrClN3O7 MolecularWeight: 718.97766

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5CCC(CC5C4=O)C)C(=O)OCC(=O)C6=CC(=C(C=C6)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5CCC(CC5C4=O)C)C(=O)OCC(=O)C6=CC(=C(C=C6)Cl)[N+](=O)[O-]

InChI

InChI=1S/C35H29BrClN3O7/c1-3-19-13-22(36)15-25-27(35(44)47-17-31(41)21-7-11-28(37)30(14-21)40(45)46)16-29(38-32(19)25)20-5-8-23(9-6-20)39-33(42)24-10-4-18(2)12-26(24)34(39)43/h5-9,11,13-16,18,24,26H,3-4,10,12,17H2,1-2H3