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

Systemtic Name: methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: methyl 2-[(4-methylsulfanyl-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[[4-(methylthio)-3-nitrophenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(4-methylsulfanyl-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-benzoyl]amino]acetic acid methyl ester Formula: C11H12N2O5S MolecularWeight: 284.28838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CNC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O5S/c1-18-10(14)6-12-11(15)7-3-4-9(19-2)8(5-7)13(16)17/h3-5H,6H2,1-2H3,(H,12,15)