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

Systemtic Name: (4-phenylmethoxyphenyl) 6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate Openeye Name: (4-benzyloxyphenyl) 6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanoate CAS Name: 6-(4-nitro-1,3-dioxo-2-isoindolyl)hexanoic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoate Traditional Name: 6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanoic acid (4-benzoxyphenyl) ester Formula: C27H24N2O7 MolecularWeight: 488.48866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=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)COC2=CC=C(C=C2)OC(=O)CCCCCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H24N2O7/c30-24(36-21-15-13-20(14-16-21)35-18-19-8-3-1-4-9-19)12-5-2-6-17-28-26(31)22-10-7-11-23(29(33)34)25(22)27(28)32/h1,3-4,7-11,13-16H,2,5-6,12,17-18H2