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

Systemtic Name: 2-[(2S)-3-(2-nitroimidazol-1-yl)-2-oxidanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[(2S)-2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[(2S)-2-hydroxy-3-(2-nitro-1-imidazolyl)propyl]isoindole-1,3-dione IUPAC Name: 2-[(2S)-2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[(2S)-2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]isoindoline-1,3-quinone Formula: C14H12N4O5 MolecularWeight: 316.26888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O5/c19-9(7-16-6-5-15-14(16)18(22)23)8-17-12(20)10-3-1-2-4-11(10)13(17)21/h1-6,9,19H,7-8H2/t9-/m0/s1