2-[5-(2-nitroimidazol-1-yl)-4-oxidanyl-pentyl]isoindole-1,3-dione

Systemtic Name: 2-[5-(2-nitroimidazol-1-yl)-4-oxidanyl-pentyl]isoindole-1,3-dione Openeye Name: 2-[4-hydroxy-5-(2-nitroimidazol-1-yl)pentyl]isoindoline-1,3-dione CAS Name: 2-[4-hydroxy-5-(2-nitro-1-imidazolyl)pentyl]isoindole-1,3-dione IUPAC Name: 2-[4-hydroxy-5-(2-nitroimidazol-1-yl)pentyl]isoindole-1,3-dione Traditional Name: 2-[4-hydroxy-5-(2-nitroimidazol-1-yl)pentyl]isoindoline-1,3-quinone Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O5/c21-11(10-18-9-7-17-16(18)20(24)25)4-3-8-19-14(22)12-5-1-2-6-13(12)15(19)23/h1-2,5-7,9,11,21H,3-4,8,10H2