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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=NC(=NN2)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C2=NC(=NN2)N)[N+](=O)[O-])Cl

InChI

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