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

Systemtic Name: 2-[4-(2-nitroimidazol-1-yl)-2-oxidanyl-butyl]isoindole-1,3-dione Openeye Name: 2-[2-hydroxy-4-(2-nitroimidazol-1-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[2-hydroxy-4-(2-nitro-1-imidazolyl)butyl]isoindole-1,3-dione IUPAC Name: 2-[2-hydroxy-4-(2-nitroimidazol-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[2-hydroxy-4-(2-nitroimidazol-1-yl)butyl]isoindoline-1,3-quinone Formula: C15H14N4O5 MolecularWeight: 330.29546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(CCN3C=CN=C3[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(CCN3C=CN=C3[N+](=O)[O-])O

InChI

InChI=1S/C15H14N4O5/c20-10(5-7-17-8-6-16-15(17)19(23)24)9-18-13(21)11-3-1-2-4-12(11)14(18)22/h1-4,6,8,10,20H,5,7,9H2