2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]propanoic acid

Systemtic Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]propanoic acid Openeye Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]propanoic acid CAS Name: 2-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]propanoic acid IUPAC Name: 2-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]propanoic acid Traditional Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]propionic acid Formula: C9H13N3O4S MolecularWeight: 259.28222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCSC(C)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCSC(C)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H13N3O4S/c1-6(9(13)14)17-4-3-11-7(2)10-5-8(11)12(15)16/h5-6H,3-4H2,1-2H3,(H,13,14)