[1-[[2-cyano-5-(trifluoromethyl)phenyl]amino]-4-iodanyl-1-oxidanylidene-butan-2-yl] N-tert-butylcarbamate

Systemtic Name: [1-[[2-cyano-5-(trifluoromethyl)phenyl]amino]-4-iodanyl-1-oxidanylidene-butan-2-yl] N-tert-butylcarbamate Openeye Name: [1-[[2-cyano-5-(trifluoromethyl)phenyl]carbamoyl]-3-iodo-propyl] N-tert-butylcarbamate CAS Name: N-tert-butylcarbamic acid [1-[2-cyano-5-(trifluoromethyl)anilino]-4-iodo-1-oxobutan-2-yl] ester IUPAC Name: [1-[2-cyano-5-(trifluoromethyl)anilino]-4-iodo-1-oxobutan-2-yl] N-tert-butylcarbamate Traditional Name: N-tert-butylcarbamic acid [1-[[2-cyano-5-(trifluoromethyl)phenyl]carbamoyl]-3-iodo-propyl] ester Formula: C17H19F3IN3O3 MolecularWeight: 497.25074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19F3IN3O3/c1-16(2,3)24-15(26)27-13(6-7-21)14(25)23-12-8-11(17(18,19)20)5-4-10(12)9-22/h4-5,8,13H,6-7H2,1-3H3,(H,23,25)(H,24,26)