3-(carboxymethylsulfanyl)-2-[(2-nitrophenyl)methylamino]propanoic acid

Systemtic Name: 3-(carboxymethylsulfanyl)-2-[(2-nitrophenyl)methylamino]propanoic acid Openeye Name: 3-(carboxymethylsulfanyl)-2-[(2-nitrophenyl)methylamino]propanoic acid CAS Name: 3-(carboxymethylthio)-2-[(2-nitrophenyl)methylamino]propanoic acid IUPAC Name: 3-(carboxymethylsulfanyl)-2-[(2-nitrophenyl)methylamino]propanoic acid Traditional Name: 3-(carboxymethylthio)-2-[(2-nitrobenzyl)amino]propionic acid Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6S/c15-11(16)7-21-6-9(12(17)18)13-5-8-3-1-2-4-10(8)14(19)20/h1-4,9,13H,5-7H2,(H,15,16)(H,17,18)