2-[4-(2-nitroimidazol-1-yl)-2,3-bis(oxidanyl)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(2-nitroimidazol-1-yl)-2,3-bis(oxidanyl)butyl]isoindole-1,3-dione Openeye Name: 2-[2,3-dihydroxy-4-(2-nitroimidazol-1-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[2,3-dihydroxy-4-(2-nitro-1-imidazolyl)butyl]isoindole-1,3-dione IUPAC Name: 2-[2,3-dihydroxy-4-(2-nitroimidazol-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[2,3-dihydroxy-4-(2-nitroimidazol-1-yl)butyl]isoindoline-1,3-quinone Formula: C15H14N4O6 MolecularWeight: 346.29486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O6/c20-11(7-17-6-5-16-15(17)19(24)25)12(21)8-18-13(22)9-3-1-2-4-10(9)14(18)23/h1-6,11-12,20-21H,7-8H2