2-(2-methyl-4-nitro-imidazol-1-yl)propanenitrile

Systemtic Name: 2-(2-methyl-4-nitro-imidazol-1-yl)propanenitrile Openeye Name: 2-(2-methyl-4-nitro-imidazol-1-yl)propanenitrile CAS Name: 2-(2-methyl-4-nitro-1-imidazolyl)propanenitrile IUPAC Name: 2-(2-methyl-4-nitroimidazol-1-yl)propanenitrile Traditional Name: 2-(2-methyl-4-nitro-imidazol-1-yl)propionitrile Formula: C7H8N4O2 MolecularWeight: 180.16402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1C(C)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1C(C)C#N)[N+](=O)[O-]

InChI

InChI=1S/C7H8N4O2/c1-5(3-8)10-4-7(11(12)13)9-6(10)2/h4-5H,1-2H3