tert-butyl 7-azanyl-3-iodanyl-indole-1-carboxylate

Systemtic Name: tert-butyl 7-azanyl-3-iodanyl-indole-1-carboxylate Openeye Name: tert-butyl 7-amino-3-iodo-indole-1-carboxylate CAS Name: 7-amino-3-iodo-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-amino-3-iodoindole-1-carboxylate Traditional Name: 7-amino-3-iodo-indole-1-carboxylic acid tert-butyl ester Formula: C13H15IN2O2 MolecularWeight: 358.17487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15IN2O2/c1-13(2,3)18-12(17)16-7-9(14)8-5-4-6-10(15)11(8)16/h4-7H,15H2,1-3H3