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

Systemtic Name: dimethyl 2-[(5-nitrofuran-2-yl)-nitroso-methylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[(5-nitro-2-furyl)-nitroso-methylene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[(5-nitro-2-furanyl)-nitrosomethylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(5-nitrofuran-2-yl)-nitrosomethylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[(5-nitro-2-furyl)-nitroso-methylene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C12H8N2O8S2 MolecularWeight: 372.33052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C(C2=CC=C(O2)[N+](=O)[O-])N=O)S1)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SC(=C(C2=CC=C(O2)[N+](=O)[O-])N=O)S1)C(=O)OC

InChI

InChI=1S/C12H8N2O8S2/c1-20-10(15)8-9(11(16)21-2)24-12(23-8)7(13-17)5-3-4-6(22-5)14(18)19/h3-4H,1-2H3