5-(3,5-dinitrophenyl)-1H-1,2,4-triazol-3-amine

Systemtic Name: 5-(3,5-dinitrophenyl)-1H-1,2,4-triazol-3-amine Openeye Name: 5-(3,5-dinitrophenyl)-1H-1,2,4-triazol-3-amine CAS Name: 5-(3,5-dinitrophenyl)-1H-1,2,4-triazol-3-amine IUPAC Name: 5-(3,5-dinitrophenyl)-1H-1,2,4-triazol-3-amine Traditional Name: [5-(3,5-dinitrophenyl)-1H-1,2,4-triazol-3-yl]amine Formula: C8H6N6O4 MolecularWeight: 250.17104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6N6O4/c9-8-10-7(11-12-8)4-1-5(13(15)16)3-6(2-4)14(17)18/h1-3H,(H3,9,10,11,12)