(5E)-1-ethyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-1-ethyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-ethyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-ethyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-ethyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-ethyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H11N3O6S MolecularWeight: 349.31864

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)NC1=S

Isomeric SMILES

CCN1C(=O)/C(=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)/C(=O)NC1=S

InChI

InChI=1S/C14H11N3O6S/c1-2-16-13(19)8(12(18)15-14(16)24)3-7-4-10-11(23-6-22-10)5-9(7)17(20)21/h3-5H,2,6H2,1H3,(H,15,18,24)/b8-3+