2-[2-(2-nitroimidazol-1-yl)-1-oxidanyl-ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(2-nitroimidazol-1-yl)-1-oxidanyl-ethyl]isoindole-1,3-dione Openeye Name: 2-[1-hydroxy-2-(2-nitroimidazol-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[1-hydroxy-2-(2-nitro-1-imidazolyl)ethyl]isoindole-1,3-dione IUPAC Name: 2-[1-hydroxy-2-(2-nitroimidazol-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[1-hydroxy-2-(2-nitroimidazol-1-yl)ethyl]isoindoline-1,3-quinone Formula: C13H10N4O5 MolecularWeight: 302.2423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C(CN3C=CN=C3[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C(CN3C=CN=C3[N+](=O)[O-])O

InChI

InChI=1S/C13H10N4O5/c18-10(7-15-6-5-14-13(15)17(21)22)16-11(19)8-3-1-2-4-9(8)12(16)20/h1-6,10,18H,7H2