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

Systemtic Name: N-(2,4,6-trinitrophenyl)-1,2,4-triazol-1-amine Openeye Name: N-(2,4,6-trinitrophenyl)-1,2,4-triazol-1-amine CAS Name: N-(2,4,6-trinitrophenyl)-1,2,4-triazol-1-amine IUPAC Name: N-(2,4,6-trinitrophenyl)-1,2,4-triazol-1-amine Traditional Name: picryl(1,2,4-triazol-1-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-])NN2C=NC=N2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])NN2C=NC=N2)[N+](=O)[O-])[N+](=O)[O-]

InChI

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