5-[4-(2-chlorophenyl)piperazin-1-yl]-2-(4-methylphenyl)-6-nitro-isoindole-1,3-dione

Systemtic Name: 5-[4-(2-chlorophenyl)piperazin-1-yl]-2-(4-methylphenyl)-6-nitro-isoindole-1,3-dione Openeye Name: 5-[4-(2-chlorophenyl)piperazin-1-yl]-6-nitro-2-(p-tolyl)isoindoline-1,3-dione CAS Name: 5-[4-(2-chlorophenyl)-1-piperazinyl]-2-(4-methylphenyl)-6-nitroisoindole-1,3-dione IUPAC Name: 5-[4-(2-chlorophenyl)piperazin-1-yl]-2-(4-methylphenyl)-6-nitroisoindole-1,3-dione Traditional Name: 5-[4-(2-chlorophenyl)piperazino]-6-nitro-2-(p-tolyl)isoindoline-1,3-quinone Formula: C25H21ClN4O4 MolecularWeight: 476.91164

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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=C5Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC(=C(C=C3C2=O)[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5Cl

InChI

InChI=1S/C25H21ClN4O4/c1-16-6-8-17(9-7-16)29-24(31)18-14-22(23(30(33)34)15-19(18)25(29)32)28-12-10-27(11-13-28)21-5-3-2-4-20(21)26/h2-9,14-15H,10-13H2,1H3