4-ethoxy-1-oxidanidyl-pyridin-1-ium; 2,4,6-trinitrobenzene-1,3-diol

Systemtic Name: 4-ethoxy-1-oxidanidyl-pyridin-1-ium; 2,4,6-trinitrobenzene-1,3-diol Openeye Name: 4-ethoxy-1-oxido-pyridin-1-ium; 2,4,6-trinitrobenzene-1,3-diol CAS Name: 4-ethoxy-1-oxidopyridin-1-ium; 2,4,6-trinitrobenzene-1,3-diol IUPAC Name: 4-ethoxy-1-oxidopyridin-1-ium; 2,4,6-trinitrobenzene-1,3-diol Traditional Name: 4-ethoxy-1-oxido-pyridin-1-ium; 2,4,6-trinitroresorcinol Formula: C13H12N4O10 MolecularWeight: 384.25518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=[N+](C=C1)[O-].C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=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/C7H9NO2.C6H3N3O8/c1-2-10-7-3-5-8(9)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