6-methyl-1-oxidanyl-pyridin-2-imine; 2,4,6-trinitrobenzene-1,3-diol

Systemtic Name: 6-methyl-1-oxidanyl-pyridin-2-imine; 2,4,6-trinitrobenzene-1,3-diol Openeye Name: 1-hydroxy-6-methyl-pyridin-2-imine; 2,4,6-trinitrobenzene-1,3-diol CAS Name: 1-hydroxy-6-methyl-2-pyridinimine; 2,4,6-trinitrobenzene-1,3-diol IUPAC Name: 1-hydroxy-6-methylpyridin-2-imine; 2,4,6-trinitrobenzene-1,3-diol Traditional Name: (1-hydroxy-6-methyl-2-pyridylidene)amine; 2,4,6-trinitroresorcinol Formula: C12H11N5O9 MolecularWeight: 369.24384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N)N1O.C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=N)N1O.C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C6H3N3O8.C6H8N2O/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17;1-5-3-2-4-6(7)8(5)9/h1,10-11H;2-4,7,9H,1H3