1-[(4-nitrophenyl)methyl]-1,2,4-triazol-4-ium-4-amine

Systemtic Name: 1-[(4-nitrophenyl)methyl]-1,2,4-triazol-4-ium-4-amine Openeye Name: 1-[(4-nitrophenyl)methyl]-1,2,4-triazol-4-ium-4-amine CAS Name: 1-[(4-nitrophenyl)methyl]-1,2,4-triazol-4-ium-4-amine IUPAC Name: 1-[(4-nitrophenyl)methyl]-1,2,4-triazol-4-ium-4-amine Traditional Name: [1-(4-nitrobenzyl)-1,2,4-triazol-4-ium-4-yl]amine Formula: C9H10N5O2+ MolecularWeight: 220.208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=[N+](C=N2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=[N+](C=N2)N)[N+](=O)[O-]

InChI

InChI=1S/C9H10N5O2/c10-12-6-11-13(7-12)5-8-1-3-9(4-2-8)14(15)16/h1-4,6-7H,5,10H2/q+1