2-(2-methylphenyl)-5-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(2-methylphenyl)-5-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 5-[4-(4-nitrophenyl)piperazine-1-carbonyl]-2-(o-tolyl)isoindoline-1,3-dione CAS Name: 2-(2-methylphenyl)-5-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-(2-methylphenyl)-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 5-[4-(4-nitrophenyl)piperazine-1-carbonyl]-2-(o-tolyl)isoindoline-1,3-quinone Formula: C26H22N4O5 MolecularWeight: 470.47668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H22N4O5/c1-17-4-2-3-5-23(17)29-25(32)21-11-6-18(16-22(21)26(29)33)24(31)28-14-12-27(13-15-28)19-7-9-20(10-8-19)30(34)35/h2-11,16H,12-15H2,1H3