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

Systemtic Name: 2-[[[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-methyl-amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-methyl-amino]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[[(4-chlorophenyl)-(1-methyl-2-imidazolyl)methyl]-methylamino]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-methylamino]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-methyl-amino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C21H18ClN5O4 MolecularWeight: 439.85172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=C(C=C2)Cl)N(C)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1C(C2=CC=C(C=C2)Cl)N(C)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18ClN5O4/c1-24-11-10-23-19(24)18(13-6-8-14(22)9-7-13)25(2)12-26-20(28)15-4-3-5-16(27(30)31)17(15)21(26)29/h3-11,18H,12H2,1-2H3