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

Systemtic Name: 2-(3-nitro-1,2,4-triazol-1-yl)ethanenitrile Openeye Name: 2-(3-nitro-1,2,4-triazol-1-yl)acetonitrile CAS Name: 2-(3-nitro-1,2,4-triazol-1-yl)acetonitrile IUPAC Name: 2-(3-nitro-1,2,4-triazol-1-yl)acetonitrile Traditional Name: 2-(3-nitro-1,2,4-triazol-1-yl)acetonitrile Formula: C4H3N5O2 MolecularWeight: 153.09892

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=NN1CC#N)[N+](=O)[O-]

Isomeric SMILES

C1=NC(=NN1CC#N)[N+](=O)[O-]

InChI

InChI=1S/C4H3N5O2/c5-1-2-8-3-6-4(7-8)9(10)11/h3H,2H2