3-(5-bromanyl-2-methyl-4-nitro-imidazol-1-yl)propanoic acid

Systemtic Name: 3-(5-bromanyl-2-methyl-4-nitro-imidazol-1-yl)propanoic acid Openeye Name: 3-(5-bromo-2-methyl-4-nitro-imidazol-1-yl)propanoic acid CAS Name: 3-(5-bromo-2-methyl-4-nitro-1-imidazolyl)propanoic acid IUPAC Name: 3-(5-bromo-2-methyl-4-nitroimidazol-1-yl)propanoic acid Traditional Name: 3-(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(N1CCC(=O)O)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CCC(=O)O)Br)[N+](=O)[O-]

InChI

InChI=1S/C7H8BrN3O4/c1-4-9-7(11(14)15)6(8)10(4)3-2-5(12)13/h2-3H2,1H3,(H,12,13)