[1-[2-cyano-5-(trifluoromethyl)phenyl]-2-oxidanylidene-pyrrolidin-3-yl] N-tert-butylcarbamate

Systemtic Name: [1-[2-cyano-5-(trifluoromethyl)phenyl]-2-oxidanylidene-pyrrolidin-3-yl] N-tert-butylcarbamate Openeye Name: [1-[2-cyano-5-(trifluoromethyl)phenyl]-2-oxo-pyrrolidin-3-yl] N-tert-butylcarbamate CAS Name: N-tert-butylcarbamic acid [1-[2-cyano-5-(trifluoromethyl)phenyl]-2-oxo-3-pyrrolidinyl] ester IUPAC Name: [1-[2-cyano-5-(trifluoromethyl)phenyl]-2-oxopyrrolidin-3-yl] N-tert-butylcarbamate Traditional Name: N-tert-butylcarbamic acid [1-[2-cyano-5-(trifluoromethyl)phenyl]-2-keto-pyrrolidin-3-yl] ester Formula: C17H18F3N3O3 MolecularWeight: 369.33833

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)OC1CCN(C1=O)C2=C(C=CC(=C2)C(F)(F)F)C#N

Isomeric SMILES

CC(C)(C)NC(=O)OC1CCN(C1=O)C2=C(C=CC(=C2)C(F)(F)F)C#N

InChI

InChI=1S/C17H18F3N3O3/c1-16(2,3)22-15(25)26-13-6-7-23(14(13)24)12-8-11(17(18,19)20)5-4-10(12)9-21/h4-5,8,13H,6-7H2,1-3H3,(H,22,25)