2-[(5-methylsulfanyl-2-nitro-phenyl)carbonylamino]butanoic acid

Systemtic Name: 2-[(5-methylsulfanyl-2-nitro-phenyl)carbonylamino]butanoic acid Openeye Name: 2-[(5-methylsulfanyl-2-nitro-benzoyl)amino]butanoic acid CAS Name: 2-[[[5-(methylthio)-2-nitrophenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 2-[(5-methylsulfanyl-2-nitrobenzoyl)amino]butanoic acid Traditional Name: 2-[[5-(methylthio)-2-nitro-benzoyl]amino]butyric acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5S/c1-3-9(12(16)17)13-11(15)8-6-7(20-2)4-5-10(8)14(18)19/h4-6,9H,3H2,1-2H3,(H,13,15)(H,16,17)