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

Systemtic Name: 1,3-dimethyl-5-[(5-nitro-2-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2-hydroxy-5-nitro-phenyl)methylene]-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(2-hydroxy-5-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=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)N(C1=S)C

Isomeric SMILES

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

InChI

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