[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 6-bromanyl-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-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 6-bromanyl-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-methyl-3-nitro-phenyl)-2-oxo-ethyl] 6-bromo-2-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 6-bromo-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]cinchoninic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C34H28BrN3O7 MolecularWeight: 670.50602

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5)Br)C(=C4)C(=O)OCC(=O)C6=CC(=C(C=C6)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5)Br)C(=C4)C(=O)OCC(=O)C6=CC(=C(C=C6)C)[N+](=O)[O-]

InChI

InChI=1S/C34H28BrN3O7/c1-18-3-11-24-26(13-18)33(41)37(32(24)40)23-9-6-20(7-10-23)29-16-27(25-15-22(35)8-12-28(25)36-29)34(42)45-17-31(39)21-5-4-19(2)30(14-21)38(43)44/h4-10,12,14-16,18,24,26H,3,11,13,17H2,1-2H3