N-(2,4,6-trinitrophenyl)-1H-1,2,4-triazol-5-amine

Systemtic Name: N-(2,4,6-trinitrophenyl)-1H-1,2,4-triazol-5-amine Openeye Name: N-(2,4,6-trinitrophenyl)-1H-1,2,4-triazol-5-amine CAS Name: N-(2,4,6-trinitrophenyl)-1H-1,2,4-triazol-5-amine IUPAC Name: N-(2,4,6-trinitrophenyl)-1H-1,2,4-triazol-5-amine Traditional Name: picryl(1H-1,2,4-triazol-5-yl)amine Formula: C8H5N7O6 MolecularWeight: 295.1686

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])NC2=NC=NN2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])NC2=NC=NN2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H5N7O6/c16-13(17)4-1-5(14(18)19)7(6(2-4)15(20)21)11-8-9-3-10-12-8/h1-3H,(H2,9,10,11,12)