2-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: 2-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: 2-[(4-methylsulfanyl-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[[4-(methylthio)-3-nitrophenyl]-oxomethyl]amino]acetate IUPAC Name: 2-[(4-methylsulfanyl-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-benzoyl]amino]acetate Formula: C10H9N2O5S- MolecularWeight: 269.25386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H10N2O5S/c1-18-8-3-2-6(4-7(8)12(16)17)10(15)11-5-9(13)14/h2-4H,5H2,1H3,(H,11,15)(H,13,14)/p-1