methyl 4-(dimethylcarbamoylsulfanyl)-3-nitro-benzoate

Systemtic Name: methyl 4-(dimethylcarbamoylsulfanyl)-3-nitro-benzoate Openeye Name: methyl 4-(dimethylcarbamoylsulfanyl)-3-nitro-benzoate CAS Name: 4-[[dimethylamino(oxo)methyl]thio]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(dimethylcarbamoylsulfanyl)-3-nitrobenzoate Traditional Name: 4-(dimethylcarbamoylthio)-3-nitro-benzoic acid methyl ester Formula: C11H12N2O5S MolecularWeight: 284.28838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O5S/c1-12(2)11(15)19-9-5-4-7(10(14)18-3)6-8(9)13(16)17/h4-6H,1-3H3