2-(5-nitrobenzotriazol-1-yl)ethanenitrile

Systemtic Name: 2-(5-nitrobenzotriazol-1-yl)ethanenitrile Openeye Name: 2-(5-nitrobenzotriazol-1-yl)acetonitrile CAS Name: 2-(5-nitro-1-benzotriazolyl)acetonitrile IUPAC Name: 2-(5-nitrobenzotriazol-1-yl)acetonitrile Traditional Name: 2-(5-nitrobenzotriazol-1-yl)acetonitrile Formula: C8H5N5O2 MolecularWeight: 203.1576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])N=NN2CC#N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N=NN2CC#N

InChI

InChI=1S/C8H5N5O2/c9-3-4-12-8-2-1-6(13(14)15)5-7(8)10-11-12/h1-2,5H,4H2