3-(2-nitroimidazol-1-yl)propanenitrile

Systemtic Name: 3-(2-nitroimidazol-1-yl)propanenitrile Openeye Name: 3-(2-nitroimidazol-1-yl)propanenitrile CAS Name: 3-(2-nitro-1-imidazolyl)propanenitrile IUPAC Name: 3-(2-nitroimidazol-1-yl)propanenitrile Traditional Name: 3-(2-nitroimidazol-1-yl)propionitrile Formula: C6H6N4O2 MolecularWeight: 166.13744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=N1)[N+](=O)[O-])CCC#N

Isomeric SMILES

C1=CN(C(=N1)[N+](=O)[O-])CCC#N

InChI

InChI=1S/C6H6N4O2/c7-2-1-4-9-5-3-8-6(9)10(11)12/h3,5H,1,4H2