2-azanyl-3-[2-(4-nitrophenyl)ethylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-(4-nitrophenyl)ethylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[2-(4-nitrophenyl)ethylsulfanyl]propanoic acid CAS Name: 2-amino-3-[2-(4-nitrophenyl)ethylthio]propanoic acid IUPAC Name: 2-amino-3-[2-(4-nitrophenyl)ethylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[2-(4-nitrophenyl)ethylthio]propionic acid Formula: C11H14N2O4S MolecularWeight: 270.30486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCSCC(C(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCSCC(C(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O4S/c12-10(11(14)15)7-18-6-5-8-1-3-9(4-2-8)13(16)17/h1-4,10H,5-7,12H2,(H,14,15)