dimethyl 5-(dimethylcarbamoylsulfanyl)-2-nitro-benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(dimethylcarbamoylsulfanyl)-2-nitro-benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(dimethylcarbamoylsulfanyl)-2-nitro-benzene-1,3-dicarboxylate CAS Name: 5-[[dimethylamino(oxo)methyl]thio]-2-nitrobenzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(dimethylcarbamoylsulfanyl)-2-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-(dimethylcarbamoylthio)-2-nitro-benzene-1,3-dicarboxylic acid dimethyl ester Formula: C13H14N2O7S MolecularWeight: 342.32446

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)SC1=CC(=C(C(=C1)C(=O)OC)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(C)C(=O)SC1=CC(=C(C(=C1)C(=O)OC)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H14N2O7S/c1-14(2)13(18)23-7-5-8(11(16)21-3)10(15(19)20)9(6-7)12(17)22-4/h5-6H,1-4H3