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

Systemtic Name: 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-[(4-chlorophenyl)methyl]-1-piperazinyl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[4-(4-chlorobenzyl)piperazino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C20H19ClN4O4 MolecularWeight: 414.84226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O4/c21-15-3-1-14(2-4-15)12-22-7-9-23(10-8-22)13-24-19(26)17-6-5-16(25(28)29)11-18(17)20(24)27/h1-6,11H,7-10,12-13H2