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

Systemtic Name: 2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-(m-tolyl)piperazin-1-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-(3-methylphenyl)-1-piperazinyl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[4-(m-tolyl)piperazino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C20H20N4O4 MolecularWeight: 380.3972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4/c1-14-3-2-4-15(11-14)22-9-7-21(8-10-22)13-23-19(25)17-6-5-16(24(27)28)12-18(17)20(23)26/h2-6,11-12H,7-10,13H2,1H3