4-(dimethylcarbamoylsulfanyl)-3-nitro-benzoate

Systemtic Name: 4-(dimethylcarbamoylsulfanyl)-3-nitro-benzoate Openeye Name: 4-(dimethylcarbamoylsulfanyl)-3-nitro-benzoate CAS Name: 4-[[dimethylamino(oxo)methyl]thio]-3-nitrobenzoate IUPAC Name: 4-(dimethylcarbamoylsulfanyl)-3-nitrobenzoate Traditional Name: 4-(dimethylcarbamoylthio)-3-nitro-benzoate Formula: C10H9N2O5S- MolecularWeight: 269.25386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2O5S/c1-11(2)10(15)18-8-4-3-6(9(13)14)5-7(8)12(16)17/h3-5H,1-2H3,(H,13,14)/p-1