5-[(3,5-dinitro-2-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(3,5-dinitro-2-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2-hydroxy-3,5-dinitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(2-hydroxy-3,5-dinitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C11H6N4O7S MolecularWeight: 338.25294

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])O)C=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)C=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C11H6N4O7S/c16-8-4(1-5(14(19)20)3-7(8)15(21)22)2-6-9(17)12-11(23)13-10(6)18/h1-3,16H,(H2,12,13,17,18,23)