tert-butyl 5-iodanylbenzimidazole-1-carboxylate

Systemtic Name: tert-butyl 5-iodanylbenzimidazole-1-carboxylate Openeye Name: tert-butyl 5-iodobenzimidazole-1-carboxylate CAS Name: 5-iodo-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-iodobenzimidazole-1-carboxylate Traditional Name: 5-iodobenzimidazole-1-carboxylic acid tert-butyl ester Formula: C12H13IN2O2 MolecularWeight: 344.14829

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=NC2=C1C=CC(=C2)I

Isomeric SMILES

CC(C)(C)OC(=O)N1C=NC2=C1C=CC(=C2)I

InChI

InChI=1S/C12H13IN2O2/c1-12(2,3)17-11(16)15-7-14-9-6-8(13)4-5-10(9)15/h4-7H,1-3H3