2-(4-methylphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)isoindole-1,3-dione

Systemtic Name: 2-(4-methylphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)isoindole-1,3-dione Openeye Name: 5-nitro-6-(4-phenylpiperazin-1-yl)-2-(p-tolyl)isoindoline-1,3-dione CAS Name: 2-(4-methylphenyl)-5-nitro-6-(4-phenyl-1-piperazinyl)isoindole-1,3-dione IUPAC Name: 2-(4-methylphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)isoindole-1,3-dione Traditional Name: 5-nitro-6-(4-phenylpiperazino)-2-(p-tolyl)isoindoline-1,3-quinone Formula: C25H22N4O4 MolecularWeight: 442.46658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC(=C(C=C3C2=O)[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC(=C(C=C3C2=O)[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4O4/c1-17-7-9-19(10-8-17)28-24(30)20-15-22(23(29(32)33)16-21(20)25(28)31)27-13-11-26(12-14-27)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3