5-nitro-2-[2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[2-oxo-2-(2-oxo-1-imidazolidinyl)ethyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-(2-ketoimidazolidin-1-yl)ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C13H10N4O6 MolecularWeight: 318.2417

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(=O)N1)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O6/c18-10(15-4-3-14-13(15)21)6-16-11(19)8-2-1-7(17(22)23)5-9(8)12(16)20/h1-2,5H,3-4,6H2,(H,14,21)