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

Systemtic Name: (4-phenylphenyl) 6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate Openeye Name: (4-phenylphenyl) 6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanoate CAS Name: 6-(4-nitro-1,3-dioxo-2-isoindolyl)hexanoic acid (4-phenylphenyl) ester IUPAC Name: (4-phenylphenyl) 6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoate Traditional Name: 6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanoic acid (4-phenylphenyl) ester Formula: C26H22N2O6 MolecularWeight: 458.46268

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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-]

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-]

InChI

InChI=1S/C26H22N2O6/c29-23(34-20-15-13-19(14-16-20)18-8-3-1-4-9-18)12-5-2-6-17-27-25(30)21-10-7-11-22(28(32)33)24(21)26(27)31/h1,3-4,7-11,13-16H,2,5-6,12,17H2