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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC#N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC#N)[N+](=O)[O-]

InChI

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