3-(3-nitro-1,2,4-triazol-1-yl)propanenitrile

Systemtic Name: 3-(3-nitro-1,2,4-triazol-1-yl)propanenitrile Openeye Name: 3-(3-nitro-1,2,4-triazol-1-yl)propanenitrile CAS Name: 3-(3-nitro-1,2,4-triazol-1-yl)propanenitrile IUPAC Name: 3-(3-nitro-1,2,4-triazol-1-yl)propanenitrile Traditional Name: 3-(3-nitro-1,2,4-triazol-1-yl)propionitrile Formula: C5H5N5O2 MolecularWeight: 167.1255

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=NN1CCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=NC(=NN1CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C5H5N5O2/c6-2-1-3-9-4-7-5(8-9)10(11)12/h4H,1,3H2