2-[(4,5-dimethoxy-2-nitro-phenyl)methylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(4,5-dimethoxy-2-nitro-phenyl)methylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(4,5-dimethoxy-2-nitro-phenyl)methylamino]-3-sulfanyl-propanoic acid CAS Name: 2-[(4,5-dimethoxy-2-nitrophenyl)methylamino]-3-mercaptopropanoic acid IUPAC Name: 2-[(4,5-dimethoxy-2-nitrophenyl)methylamino]-3-sulfanylpropanoic acid Traditional Name: 2-[(4,5-dimethoxy-2-nitro-benzyl)amino]-3-mercapto-propionic acid Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CNC(CS)C(=O)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CNC(CS)C(=O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C12H16N2O6S/c1-19-10-3-7(5-13-8(6-21)12(15)16)9(14(17)18)4-11(10)20-2/h3-4,8,13,21H,5-6H2,1-2H3,(H,15,16)