ethyl 1-oxidanidylpyridin-1-ium-4-carboxylate; 2,4,6-trinitrobenzene-1,3-diol

Systemtic Name: ethyl 1-oxidanidylpyridin-1-ium-4-carboxylate; 2,4,6-trinitrobenzene-1,3-diol Openeye Name: ethyl 1-oxidopyridin-1-ium-4-carboxylate; 2,4,6-trinitrobenzene-1,3-diol CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid ethyl ester; 2,4,6-trinitrobenzene-1,3-diol IUPAC Name: ethyl 1-oxidopyridin-1-ium-4-carboxylate; 2,4,6-trinitrobenzene-1,3-diol Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid ethyl ester; 2,4,6-trinitroresorcinol Formula: C14H12N4O11 MolecularWeight: 412.26528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9NO3.C6H3N3O8/c1-2-12-8(10)7-3-5-9(11)6-4-7;10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h3-6H,2H2,1H3;1,10-11H