[2-(4-nitrophenyl)-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-nitrophenyl)-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-nitrophenyl)-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-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-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-nitrophenyl)ethyl] ester Formula: C33H26BrN3O7 MolecularWeight: 656.47944

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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)[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)[N+](=O)[O-]

InChI

InChI=1S/C33H26BrN3O7/c1-18-2-12-24-26(14-18)32(40)36(31(24)39)22-8-3-19(4-9-22)29-16-27(25-15-21(34)7-13-28(25)35-29)33(41)44-17-30(38)20-5-10-23(11-6-20)37(42)43/h3-11,13,15-16,18,24,26H,2,12,14,17H2,1H3