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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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