5-(5-chloranyl-2-nitro-phenyl)-1H-1,2,4-triazol-3-amine

Systemtic Name: 5-(5-chloranyl-2-nitro-phenyl)-1H-1,2,4-triazol-3-amine Openeye Name: 5-(5-chloro-2-nitro-phenyl)-1H-1,2,4-triazol-3-amine CAS Name: 5-(5-chloro-2-nitrophenyl)-1H-1,2,4-triazol-3-amine IUPAC Name: 5-(5-chloro-2-nitrophenyl)-1H-1,2,4-triazol-3-amine Traditional Name: [5-(5-chloro-2-nitro-phenyl)-1H-1,2,4-triazol-3-yl]amine Formula: C8H6ClN5O2 MolecularWeight: 239.61854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C2=NC(=NN2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)C2=NC(=NN2)N)[N+](=O)[O-]

InChI

InChI=1S/C8H6ClN5O2/c9-4-1-2-6(14(15)16)5(3-4)7-11-8(10)13-12-7/h1-3H,(H3,10,11,12,13)