tert-butyl 3-iodanyl-5-methyl-pyrrolo[2,3-b]pyridine-1-carboxylate

Systemtic Name: tert-butyl 3-iodanyl-5-methyl-pyrrolo[2,3-b]pyridine-1-carboxylate Openeye Name: tert-butyl 3-iodo-5-methyl-pyrrolo[2,3-b]pyridine-1-carboxylate CAS Name: 3-iodo-5-methyl-1-pyrrolo[2,3-b]pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-iodo-5-methylpyrrolo[2,3-b]pyridine-1-carboxylate Traditional Name: 3-iodo-5-methyl-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester Formula: C13H15IN2O2 MolecularWeight: 358.17487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C(=CN2C(=O)OC(C)(C)C)I

Isomeric SMILES

CC1=CN=C2C(=C1)C(=CN2C(=O)OC(C)(C)C)I

InChI

InChI=1S/C13H15IN2O2/c1-8-5-9-10(14)7-16(11(9)15-6-8)12(17)18-13(2,3)4/h5-7H,1-4H3