6-(2,3-dimethyl-5-nitro-2H-benzimidazol-1-yl)hexanoic acid iodide

Systemtic Name: 6-(2,3-dimethyl-5-nitro-2H-benzimidazol-1-yl)hexanoic acid iodide Openeye Name: 6-(2,3-dimethyl-5-nitro-2H-benzimidazol-1-yl)hexanoic acid iodide CAS Name: 6-(2,3-dimethyl-5-nitro-2H-benzimidazol-1-yl)hexanoic acid iodide IUPAC Name: 6-(2,3-dimethyl-5-nitro-2H-benzimidazol-1-yl)hexanoic acid iodide Traditional Name: 6-(2,3-dimethyl-5-nitro-2H-benzimidazol-1-yl)hexanoic acid iodide Formula: C15H21IN3O4- MolecularWeight: 434.24941

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=C(N1CCCCCC(=O)O)C=CC(=C2)[N+](=O)[O-])C.[I-]

Isomeric SMILES

CC1N(C2=C(N1CCCCCC(=O)O)C=CC(=C2)[N+](=O)[O-])C.[I-]

InChI

InChI=1S/C15H21N3O4.HI/c1-11-16(2)14-10-12(18(21)22)7-8-13(14)17(11)9-5-3-4-6-15(19)20;/h7-8,10-11H,3-6,9H2,1-2H3,(H,19,20);1H/p-1