2-(2-nitroimidazol-1-yl)ethanenitrile

Systemtic Name: 2-(2-nitroimidazol-1-yl)ethanenitrile Openeye Name: 2-(2-nitroimidazol-1-yl)acetonitrile CAS Name: 2-(2-nitro-1-imidazolyl)acetonitrile IUPAC Name: 2-(2-nitroimidazol-1-yl)acetonitrile Traditional Name: 2-(2-nitroimidazol-1-yl)acetonitrile Formula: C5H4N4O2 MolecularWeight: 152.11086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=N1)[N+](=O)[O-])CC#N

Isomeric SMILES

C1=CN(C(=N1)[N+](=O)[O-])CC#N

InChI

InChI=1S/C5H4N4O2/c6-1-3-8-4-2-7-5(8)9(10)11/h2,4H,3H2