3-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzonitrile CAS Name: 3-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzonitrile IUPAC Name: 3-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzonitrile Traditional Name: 3-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzonitrile Formula: C10H7N5O2 MolecularWeight: 229.19488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=NC(=N2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=NC(=N2)[N+](=O)[O-])C#N

InChI

InChI=1S/C10H7N5O2/c11-5-8-2-1-3-9(4-8)6-14-7-12-10(13-14)15(16)17/h1-4,7H,6H2