3-(2-methyl-4-nitro-imidazol-1-yl)propanenitrile

Systemtic Name: 3-(2-methyl-4-nitro-imidazol-1-yl)propanenitrile Openeye Name: 3-(2-methyl-4-nitro-imidazol-1-yl)propanenitrile CAS Name: 3-(2-methyl-4-nitro-1-imidazolyl)propanenitrile IUPAC Name: 3-(2-methyl-4-nitroimidazol-1-yl)propanenitrile Traditional Name: 3-(2-methyl-4-nitro-imidazol-1-yl)propionitrile Formula: C7H8N4O2 MolecularWeight: 180.16402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CCC#N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C7H8N4O2/c1-6-9-7(11(12)13)5-10(6)4-2-3-8/h5H,2,4H2,1H3