5-nitro-2-(2,4,6-trinitrophenyl)-1H-1,2,4-triazol-3-one

Systemtic Name: 5-nitro-2-(2,4,6-trinitrophenyl)-1H-1,2,4-triazol-3-one Openeye Name: 5-nitro-2-(2,4,6-trinitrophenyl)-1H-1,2,4-triazol-3-one CAS Name: 5-nitro-2-(2,4,6-trinitrophenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 5-nitro-2-(2,4,6-trinitrophenyl)-1H-1,2,4-triazol-3-one Traditional Name: 5-nitro-2-picryl-1H-1,2,4-triazol-3-one Formula: C8H3N7O9 MolecularWeight: 342.144329

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])N2C(=O)N=C(N2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])N2C(=O)[15N]=C(N2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H3N7O9/c16-8-9-7(15(23)24)10-11(8)6-4(13(19)20)1-3(12(17)18)2-5(6)14(21)22/h1-2H,(H,9,10,16)/i9+1