N1,N3,N5-trimethyl-2,4,6-trinitro-benzene-1,3,5-triamine

Systemtic Name: N1,N3,N5-trimethyl-2,4,6-trinitro-benzene-1,3,5-triamine Openeye Name: N1,N3,N5-trimethyl-2,4,6-trinitro-benzene-1,3,5-triamine CAS Name: N1,N3,N5-trimethyl-2,4,6-trinitrobenzene-1,3,5-triamine IUPAC Name: 1-N,3-N,5-N-trimethyl-2,4,6-trinitrobenzene-1,3,5-triamine Traditional Name: [3,5-bis(methylamino)-2,4,6-trinitro-phenyl]-methyl-amine Formula: C9H12N6O6 MolecularWeight: 300.22818

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=C(C(=C1[N+](=O)[O-])NC)[N+](=O)[O-])NC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C(=C(C(=C1[N+](=O)[O-])NC)[N+](=O)[O-])NC)[N+](=O)[O-]

InChI

InChI=1S/C9H12N6O6/c1-10-4-7(13(16)17)5(11-2)9(15(20)21)6(12-3)8(4)14(18)19/h10-12H,1-3H3