(2-bromanyl-4-phenyl-phenyl) 6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate

Systemtic Name: (2-bromanyl-4-phenyl-phenyl) 6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate Openeye Name: (2-bromo-4-phenyl-phenyl) 6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanoate CAS Name: 6-(4-nitro-1,3-dioxo-2-isoindolyl)hexanoic acid (2-bromo-4-phenylphenyl) ester IUPAC Name: (2-bromo-4-phenylphenyl) 6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoate Traditional Name: 6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanoic acid (2-bromo-4-phenyl-phenyl) ester Formula: C26H21BrN2O6 MolecularWeight: 537.35874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)CCCCCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)CCCCCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C26H21BrN2O6/c27-20-16-18(17-8-3-1-4-9-17)13-14-22(20)35-23(30)12-5-2-6-15-28-25(31)19-10-7-11-21(29(33)34)24(19)26(28)32/h1,3-4,7-11,13-14,16H,2,5-6,12,15H2