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

Systemtic Name: 5-[(2-methoxy-5-nitro-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2-methoxy-5-nitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(2-methoxy-5-nitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C12H9N3O5S MolecularWeight: 307.28196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C=C2C(=O)NC(=S)NC2=O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C=C2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C12H9N3O5S/c1-20-9-3-2-7(15(18)19)4-6(9)5-8-10(16)13-12(21)14-11(8)17/h2-5H,1H3,(H2,13,14,16,17,21)