5-nitro-2-(phenylmethyl)-1,2,4-triazol-3-amine

Systemtic Name: 5-nitro-2-(phenylmethyl)-1,2,4-triazol-3-amine Openeye Name: 2-benzyl-5-nitro-1,2,4-triazol-3-amine CAS Name: 5-nitro-2-(phenylmethyl)-1,2,4-triazol-3-amine IUPAC Name: 2-benzyl-5-nitro-1,2,4-triazol-3-amine Traditional Name: (2-benzyl-5-nitro-1,2,4-triazol-3-yl)amine Formula: C9H9N5O2 MolecularWeight: 219.20006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N5O2/c10-8-11-9(14(15)16)12-13(8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12)