2,4,6-trinitrobenzene-1,3-diamine

Systemtic Name: 2,4,6-trinitrobenzene-1,3-diamine Openeye Name: 2,4,6-trinitrobenzene-1,3-diamine CAS Name: 2,4,6-trinitrobenzene-1,3-diamine IUPAC Name: 2,4,6-trinitrobenzene-1,3-diamine Traditional Name: (3-amino-2,4,6-trinitro-phenyl)amine Formula: C6H5N5O6 MolecularWeight: 243.1338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5N5O6/c7-4-2(9(12)13)1-3(10(14)15)5(8)6(4)11(16)17/h1H,7-8H2