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

Systemtic Name: 2-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 5-nitro-2-[[4-(o-tolylmethyl)piperazin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[(2-methylphenyl)methyl]-1-piperazinyl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[4-(2-methylbenzyl)piperazino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-15-4-2-3-5-16(15)13-22-8-10-23(11-9-22)14-24-20(26)18-7-6-17(25(28)29)12-19(18)21(24)27/h2-7,12H,8-11,13-14H2,1H3