3,5-bis(bromanyl)-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]benzoic acid

Systemtic Name: 3,5-bis(bromanyl)-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]benzoic acid Openeye Name: 3,5-dibromo-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]benzoic acid CAS Name: 3,5-dibromo-2-[2-(2-methyl-5-nitro-1-imidazolyl)ethoxy]benzoic acid IUPAC Name: 3,5-dibromo-2-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]benzoic acid Traditional Name: 3,5-dibromo-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]benzoic acid Formula: C13H11Br2N3O5 MolecularWeight: 449.05154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC2=C(C=C(C=C2C(=O)O)Br)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC2=C(C=C(C=C2C(=O)O)Br)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H11Br2N3O5/c1-7-16-6-11(18(21)22)17(7)2-3-23-12-9(13(19)20)4-8(14)5-10(12)15/h4-6H,2-3H2,1H3,(H,19,20)