4-nitro-2-[2-oxidanylidene-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[2-oxidanylidene-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-[4-(2-keto-3H-benzimidazol-1-yl)piperidino]ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C22H19N5O6 MolecularWeight: 449.41616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O6/c28-18(12-25-20(29)14-4-3-7-17(27(32)33)19(14)21(25)30)24-10-8-13(9-11-24)26-16-6-2-1-5-15(16)23-22(26)31/h1-7,13H,8-12H2,(H,23,31)