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

Systemtic Name: (5Z)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5Z)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5Z)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5Z)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5Z)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H11N3O6S MolecularWeight: 397.36144

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C\3/C(=O)NC(=S)N(C3=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H11N3O6S/c22-16-12(17(23)20(18(28)19-16)11-4-2-1-3-5-11)6-10-7-14-15(27-9-26-14)8-13(10)21(24)25/h1-8H,9H2,(H,19,22,28)/b12-6-