3-[(4-aminocarbonyl-2-nitro-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(4-aminocarbonyl-2-nitro-phenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(4-carbamoyl-2-nitro-phenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(4-carbamoyl-2-nitrophenyl)methylthio]propanoic acid IUPAC Name: 3-[(4-carbamoyl-2-nitrophenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(4-carbamoyl-2-nitro-benzyl)thio]propionic acid Formula: C11H12N2O5S MolecularWeight: 284.28838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])CSCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])CSCCC(=O)O

InChI

InChI=1S/C11H12N2O5S/c12-11(16)7-1-2-8(9(5-7)13(17)18)6-19-4-3-10(14)15/h1-2,5H,3-4,6H2,(H2,12,16)(H,14,15)