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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNN2C=NN=C2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNN2C=NN=C2

InChI

InChI=1S/C9H9N5O2/c15-14(16)9-3-1-2-8(4-9)5-12-13-6-10-11-7-13/h1-4,6-7,12H,5H2