N-(2,4,6-trinitrophenyl)-2H-1,2,3-triazol-4-amine

Systemtic Name: N-(2,4,6-trinitrophenyl)-2H-1,2,3-triazol-4-amine Openeye Name: N-(2,4,6-trinitrophenyl)-2H-triazol-4-amine CAS Name: N-(2,4,6-trinitrophenyl)-2H-triazol-4-amine IUPAC Name: N-(2,4,6-trinitrophenyl)-2H-triazol-4-amine Traditional Name: picryl(2H-triazol-4-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=NNN=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])NC2=NNN=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

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