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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O5S/c1-19-9-3-2-7(6-8(9)13(17)18)11(16)12-5-4-10(14)15/h2-3,6H,4-5H2,1H3,(H,12,16)(H,14,15)