dimethyl 2-[(5-nitrofuran-2-yl)methylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[(5-nitrofuran-2-yl)methylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[(5-nitro-2-furyl)methylene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[(5-nitro-2-furanyl)methylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(5-nitrofuran-2-yl)methylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[(5-nitro-2-furyl)methylene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C12H9NO7S2 MolecularWeight: 343.33236

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=CC2=CC=C(O2)[N+](=O)[O-])S1)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SC(=CC2=CC=C(O2)[N+](=O)[O-])S1)C(=O)OC

InChI

InChI=1S/C12H9NO7S2/c1-18-11(14)9-10(12(15)19-2)22-8(21-9)5-6-3-4-7(20-6)13(16)17/h3-5H,1-2H3