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

Systemtic Name: methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[(4-methylsulfanyl-3-nitro-benzoyl)amino]propanoate CAS Name: 3-hydroxy-2-[[[4-(methylthio)-3-nitrophenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[(4-methylsulfanyl-3-nitrobenzoyl)amino]propanoate Traditional Name: 3-hydroxy-2-[[4-(methylthio)-3-nitro-benzoyl]amino]propionic acid methyl ester Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6S/c1-20-12(17)8(6-15)13-11(16)7-3-4-10(21-2)9(5-7)14(18)19/h3-5,8,15H,6H2,1-2H3,(H,13,16)