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

Systemtic Name: 5-[(3-ethoxy-5-nitro-2-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-ethoxy-2-hydroxy-5-nitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-ethoxy-2-hydroxy-5-nitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H11N3O6S MolecularWeight: 337.30794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)NC(=S)NC2=O)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)NC(=S)NC2=O)O

InChI

InChI=1S/C13H11N3O6S/c1-2-22-9-5-7(16(20)21)3-6(10(9)17)4-8-11(18)14-13(23)15-12(8)19/h3-5,17H,2H2,1H3,(H2,14,15,18,19,23)