3-(5-chloranyl-4-nitro-imidazol-1-yl)propanenitrile

Systemtic Name: 3-(5-chloranyl-4-nitro-imidazol-1-yl)propanenitrile Openeye Name: 3-(5-chloro-4-nitro-imidazol-1-yl)propanenitrile CAS Name: 3-(5-chloro-4-nitro-1-imidazolyl)propanenitrile IUPAC Name: 3-(5-chloro-4-nitroimidazol-1-yl)propanenitrile Traditional Name: 3-(5-chloro-4-nitro-imidazol-1-yl)propionitrile Formula: C6H5ClN4O2 MolecularWeight: 200.5825

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=C(N1CCC#N)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=NC(=C(N1CCC#N)Cl)[N+](=O)[O-]

InChI

InChI=1S/C6H5ClN4O2/c7-5-6(11(12)13)9-4-10(5)3-1-2-8/h4H,1,3H2