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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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