4-nitro-2-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(1-methyl-1-phenyl-ethyl)phenoxy]phenyl]-4-nitro-isoindoline-1,3-dione CAS Name: 4-nitro-2-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]isoindole-1,3-dione Traditional Name: 2-[4-(4-cumylphenoxy)phenyl]-4-nitro-isoindoline-1,3-quinone Formula: C29H22N2O5 MolecularWeight: 478.49538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC3=CC=C(C=C3)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC3=CC=C(C=C3)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H22N2O5/c1-29(2,19-7-4-3-5-8-19)20-11-15-22(16-12-20)36-23-17-13-21(14-18-23)30-27(32)24-9-6-10-25(31(34)35)26(24)28(30)33/h3-18H,1-2H3