2-[methyl-[3-(2-nitroimidazol-1-yl)-2-oxidanyl-propyl]amino]ethanenitrile

Systemtic Name: 2-[methyl-[3-(2-nitroimidazol-1-yl)-2-oxidanyl-propyl]amino]ethanenitrile Openeye Name: 2-[[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]-methyl-amino]acetonitrile CAS Name: 2-[[2-hydroxy-3-(2-nitro-1-imidazolyl)propyl]-methylamino]acetonitrile IUPAC Name: 2-[[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]-methylamino]acetonitrile Traditional Name: 2-[[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]-methyl-amino]acetonitrile Formula: C9H13N5O3 MolecularWeight: 239.23122

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#N)CC(CN1C=CN=C1[N+](=O)[O-])O

Isomeric SMILES

CN(CC#N)CC(CN1C=CN=C1[N+](=O)[O-])O

InChI

InChI=1S/C9H13N5O3/c1-12(4-2-10)6-8(15)7-13-5-3-11-9(13)14(16)17/h3,5,8,15H,4,6-7H2,1H3