5-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-3-amine

Systemtic Name: 5-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-3-amine Openeye Name: 5-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-3-amine CAS Name: 5-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-3-amine IUPAC Name: 5-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-3-amine Traditional Name: [5-(4-nitrobenzyl)-1H-1,2,4-triazol-3-yl]amine Formula: C9H9N5O2 MolecularWeight: 219.20006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NC(=NN2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=NC(=NN2)N)[N+](=O)[O-]

InChI

InChI=1S/C9H9N5O2/c10-9-11-8(12-13-9)5-6-1-3-7(4-2-6)14(15)16/h1-4H,5H2,(H3,10,11,12,13)