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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O5S/c1-2-21-10-4-3-7(6-9(10)16(19)20)5-8-11(17)14-13(22)15-12(8)18/h3-6H,2H2,1H3,(H2,14,15,17,18,22)