(2S)-2-(5-bromanyl-2-methyl-4-nitro-imidazol-1-yl)propanoic acid

Systemtic Name: (2S)-2-(5-bromanyl-2-methyl-4-nitro-imidazol-1-yl)propanoic acid Openeye Name: (2S)-2-(5-bromo-2-methyl-4-nitro-imidazol-1-yl)propanoic acid CAS Name: (2S)-2-(5-bromo-2-methyl-4-nitro-1-imidazolyl)propanoic acid IUPAC Name: (2S)-2-(5-bromo-2-methyl-4-nitroimidazol-1-yl)propanoic acid Traditional Name: (2S)-2-(5-bromo-2-methyl-4-nitro-imidazol-1-yl)propionic acid Formula: C7H8BrN3O4 MolecularWeight: 278.06012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1C(C)C(=O)O)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1[C@@H](C)C(=O)O)Br)[N+](=O)[O-]

InChI

InChI=1S/C7H8BrN3O4/c1-3(7(12)13)10-4(2)9-6(5(10)8)11(14)15/h3H,1-2H3,(H,12,13)/t3-/m0/s1