2-azanyl-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(2-methoxy-5-nitrophenyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(2-methoxy-5-nitro-benzyl)thio]propionic acid Formula: C11H14N2O5S MolecularWeight: 286.30426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSCC(C(=O)O)N

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSCC(C(=O)O)N

InChI

InChI=1S/C11H14N2O5S/c1-18-10-3-2-8(13(16)17)4-7(10)5-19-6-9(12)11(14)15/h2-4,9H,5-6,12H2,1H3,(H,14,15)