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

Systemtic Name: 5-[(2-methoxy-5-nitro-phenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2-methoxy-5-nitro-phenyl)methylene]-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(2-methoxy-5-nitro-benzylidene)-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O5S/c1-15-12(18)10(13(19)16(2)14(15)23)7-8-6-9(17(20)21)4-5-11(8)22-3/h4-7H,1-3H3