2-(1-methyl-5-nitro-imidazol-2-yl)ethanenitrile

Systemtic Name: 2-(1-methyl-5-nitro-imidazol-2-yl)ethanenitrile Openeye Name: 2-(1-methyl-5-nitro-imidazol-2-yl)acetonitrile CAS Name: 2-(1-methyl-5-nitro-2-imidazolyl)acetonitrile IUPAC Name: 2-(1-methyl-5-nitroimidazol-2-yl)acetonitrile Traditional Name: 2-(1-methyl-5-nitro-imidazol-2-yl)acetonitrile Formula: C6H6N4O2 MolecularWeight: 166.13744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1CC#N)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1CC#N)[N+](=O)[O-]

InChI

InChI=1S/C6H6N4O2/c1-9-5(2-3-7)8-4-6(9)10(11)12/h4H,2H2,1H3