2-[methyl-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-amino]ethanoic acid

Systemtic Name: 2-[methyl-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-amino]ethanoic acid Openeye Name: 2-[methyl-(4-methylsulfanyl-3-nitro-benzoyl)amino]acetic acid CAS Name: 2-[methyl-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[methyl-(4-methylsulfanyl-3-nitrobenzoyl)amino]acetic acid Traditional Name: 2-[methyl-[4-(methylthio)-3-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=CC(=C(C=C1)SC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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