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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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