dimethyl 2-(3-nitrothiophen-2-yl)-1H-imidazole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-(3-nitrothiophen-2-yl)-1H-imidazole-4,5-dicarboxylate Openeye Name: dimethyl 2-(3-nitro-2-thienyl)-1H-imidazole-4,5-dicarboxylate CAS Name: 2-(3-nitro-2-thiophenyl)-1H-imidazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(3-nitrothiophen-2-yl)-1H-imidazole-4,5-dicarboxylate Traditional Name: 2-(3-nitro-2-thienyl)-1H-imidazole-4,5-dicarboxylic acid dimethyl ester Formula: C11H9N3O6S MolecularWeight: 311.27066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(N1)C2=C(C=CS2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N=C(N1)C2=C(C=CS2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C11H9N3O6S/c1-19-10(15)6-7(11(16)20-2)13-9(12-6)8-5(14(17)18)3-4-21-8/h3-4H,1-2H3,(H,12,13)