tert-butyl N-[4-cyano-2-iodanyl-5-(trifluoromethyl)phenyl]carbamate

Systemtic Name: tert-butyl N-[4-cyano-2-iodanyl-5-(trifluoromethyl)phenyl]carbamate Openeye Name: tert-butyl N-[4-cyano-2-iodo-5-(trifluoromethyl)phenyl]carbamate CAS Name: N-[4-cyano-2-iodo-5-(trifluoromethyl)phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-cyano-2-iodo-5-(trifluoromethyl)phenyl]carbamate Traditional Name: N-[4-cyano-2-iodo-5-(trifluoromethyl)phenyl]carbamic acid tert-butyl ester Formula: C13H12F3IN2O2 MolecularWeight: 412.14626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=C(C(=C1)C(F)(F)F)C#N)I

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=C(C(=C1)C(F)(F)F)C#N)I

InChI

InChI=1S/C13H12F3IN2O2/c1-12(2,3)21-11(20)19-10-5-8(13(14,15)16)7(6-18)4-9(10)17/h4-5H,1-3H3,(H,19,20)