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

Systemtic Name: 2-(4-methylphenyl)-5-(4-methylpiperazin-1-yl)-6-nitro-isoindole-1,3-dione Openeye Name: 5-(4-methylpiperazin-1-yl)-6-nitro-2-(p-tolyl)isoindoline-1,3-dione CAS Name: 2-(4-methylphenyl)-5-(4-methyl-1-piperazinyl)-6-nitroisoindole-1,3-dione IUPAC Name: 2-(4-methylphenyl)-5-(4-methylpiperazin-1-yl)-6-nitroisoindole-1,3-dione Traditional Name: 5-(4-methylpiperazino)-6-nitro-2-(p-tolyl)isoindoline-1,3-quinone Formula: C20H20N4O4 MolecularWeight: 380.3972

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4/c1-13-3-5-14(6-4-13)23-19(25)15-11-17(22-9-7-21(2)8-10-22)18(24(27)28)12-16(15)20(23)26/h3-6,11-12H,7-10H2,1-2H3