N,N-dimethyl-1-oxidanidyl-pyridin-1-ium-2-amine; 2,4,6-trinitrobenzene-1,3-diol

Systemtic Name: N,N-dimethyl-1-oxidanidyl-pyridin-1-ium-2-amine; 2,4,6-trinitrobenzene-1,3-diol Openeye Name: N,N-dimethyl-1-oxido-pyridin-1-ium-2-amine; 2,4,6-trinitrobenzene-1,3-diol CAS Name: N,N-dimethyl-1-oxido-2-pyridin-1-iumamine; 2,4,6-trinitrobenzene-1,3-diol IUPAC Name: N,N-dimethyl-1-oxidopyridin-1-ium-2-amine; 2,4,6-trinitrobenzene-1,3-diol Traditional Name: dimethyl-(1-oxidopyridin-1-ium-2-yl)amine; 2,4,6-trinitroresorcinol Formula: C13H13N5O9 MolecularWeight: 383.27042

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC=[N+]1[O-].C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=CC=CC=[N+]1[O-].C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C7H10N2O.C6H3N3O8/c1-8(2)7-5-3-4-6-9(7)10;10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h3-6H,1-2H3;1,10-11H