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

Systemtic Name: dimethyl 2-[(2,4-dinitrophenyl)-nitroso-methylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[(2,4-dinitrophenyl)-nitroso-methylene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[(2,4-dinitrophenyl)-nitrosomethylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(2,4-dinitrophenyl)-nitrosomethylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[(2,4-dinitrophenyl)-nitroso-methylene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C14H9N3O9S2 MolecularWeight: 427.36596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9N3O9S2/c1-25-12(18)10-11(13(19)26-2)28-14(27-10)9(15-20)7-4-3-6(16(21)22)5-8(7)17(23)24/h3-5H,1-2H3