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

Systemtic Name: 1,3-dimethyl-5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-hydroxy-3-nitro-phenyl)methylene]-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(4-hydroxy-3-nitro-benzylidene)-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H11N3O5S MolecularWeight: 321.30854

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)N(C1=S)C

Isomeric SMILES

CN1C(=O)C(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)N(C1=S)C

InChI

InChI=1S/C13H11N3O5S/c1-14-11(18)8(12(19)15(2)13(14)22)5-7-3-4-10(17)9(6-7)16(20)21/h3-6,17H,1-2H3