4-nitro-2-[2-oxidanyl-3-(4-phenylphenoxy)propyl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[2-oxidanyl-3-(4-phenylphenoxy)propyl]isoindole-1,3-dione Openeye Name: 2-[2-hydroxy-3-(4-phenylphenoxy)propyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-hydroxy-3-(4-phenylphenoxy)propyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-hydroxy-3-(4-phenylphenoxy)propyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-hydroxy-3-(4-phenylphenoxy)propyl]-4-nitro-isoindoline-1,3-quinone Formula: C23H18N2O6 MolecularWeight: 418.39882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])O

InChI

InChI=1S/C23H18N2O6/c26-17(14-31-18-11-9-16(10-12-18)15-5-2-1-3-6-15)13-24-22(27)19-7-4-8-20(25(29)30)21(19)23(24)28/h1-12,17,26H,13-14H2