2,4,6-trinitro-5-(3-nitro-1,2,4-triazol-1-yl)benzene-1,3-diamine

Systemtic Name: 2,4,6-trinitro-5-(3-nitro-1,2,4-triazol-1-yl)benzene-1,3-diamine Openeye Name: 2,4,6-trinitro-5-(3-nitro-1,2,4-triazol-1-yl)benzene-1,3-diamine CAS Name: 2,4,6-trinitro-5-(3-nitro-1,2,4-triazol-1-yl)benzene-1,3-diamine IUPAC Name: 2,4,6-trinitro-5-(3-nitro-1,2,4-triazol-1-yl)benzene-1,3-diamine Traditional Name: [3-amino-2,4,6-trinitro-5-(3-nitro-1,2,4-triazol-1-yl)phenyl]amine Formula: C8H5N9O8 MolecularWeight: 355.1808

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=NN1C2=C(C(=C(C(=C2[N+](=O)[O-])N)[N+](=O)[O-])N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=NC(=NN1C2=C(C(=C(C(=C2[N+](=O)[O-])N)[N+](=O)[O-])N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H5N9O8/c9-2-4(14(18)19)3(10)6(16(22)23)7(5(2)15(20)21)13-1-11-8(12-13)17(24)25/h1H,9-10H2