3-(5-iodanyl-2-methyl-4-nitro-imidazol-1-yl)propanenitrile

Systemtic Name: 3-(5-iodanyl-2-methyl-4-nitro-imidazol-1-yl)propanenitrile Openeye Name: 3-(5-iodo-2-methyl-4-nitro-imidazol-1-yl)propanenitrile CAS Name: 3-(5-iodo-2-methyl-4-nitro-1-imidazolyl)propanenitrile IUPAC Name: 3-(5-iodo-2-methyl-4-nitroimidazol-1-yl)propanenitrile Traditional Name: 3-(5-iodo-2-methyl-4-nitro-imidazol-1-yl)propionitrile Formula: C7H7IN4O2 MolecularWeight: 306.06055

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CCC#N)I)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CCC#N)I)[N+](=O)[O-]

InChI

InChI=1S/C7H7IN4O2/c1-5-10-7(12(13)14)6(8)11(5)4-2-3-9/h2,4H2,1H3