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

Systemtic Name: 2-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-(4-acetylphenyl)-1-piperazinyl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[4-(4-acetylphenyl)piperazino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O5/c1-14(26)15-2-4-16(5-3-15)23-10-8-22(9-11-23)13-24-20(27)18-7-6-17(25(29)30)12-19(18)21(24)28/h2-7,12H,8-11,13H2,1H3