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

Systemtic Name: 2-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[(4-methylsulfanyl-3-nitro-benzoyl)amino]propanoic acid CAS Name: 3-hydroxy-2-[[[4-(methylthio)-3-nitrophenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[(4-methylsulfanyl-3-nitrobenzoyl)amino]propanoic acid Traditional Name: 3-hydroxy-2-[[4-(methylthio)-3-nitro-benzoyl]amino]propionic acid Formula: C11H12N2O6S MolecularWeight: 300.28778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O6S/c1-20-9-3-2-6(4-8(9)13(18)19)10(15)12-7(5-14)11(16)17/h2-4,7,14H,5H2,1H3,(H,12,15)(H,16,17)