2-[methyl-(5-methylsulfanyl-2-nitro-phenyl)carbonyl-amino]ethanoic acid

Systemtic Name: 2-[methyl-(5-methylsulfanyl-2-nitro-phenyl)carbonyl-amino]ethanoic acid Openeye Name: 2-[methyl-(5-methylsulfanyl-2-nitro-benzoyl)amino]acetic acid CAS Name: 2-[methyl-[[5-(methylthio)-2-nitrophenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[methyl-(5-methylsulfanyl-2-nitrobenzoyl)amino]acetic acid Traditional Name: 2-[methyl-[5-(methylthio)-2-nitro-benzoyl]amino]acetic acid Formula: C11H12N2O5S MolecularWeight: 284.28838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O5S/c1-12(6-10(14)15)11(16)8-5-7(19-2)3-4-9(8)13(17)18/h3-5H,6H2,1-2H3,(H,14,15)