(phenylmethyl) N-[2-[1-cyano-3-oxidanylidene-4-(trifluoromethyl)-1H-isoindol-2-yl]ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-[1-cyano-3-oxidanylidene-4-(trifluoromethyl)-1H-isoindol-2-yl]ethyl]carbamate Openeye Name: benzyl N-[2-[1-cyano-3-oxo-4-(trifluoromethyl)isoindolin-2-yl]ethyl]carbamate CAS Name: N-[2-[1-cyano-3-oxo-4-(trifluoromethyl)-1H-isoindol-2-yl]ethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[1-cyano-3-oxo-4-(trifluoromethyl)-1H-isoindol-2-yl]ethyl]carbamate Traditional Name: N-[2-[1-cyano-3-keto-4-(trifluoromethyl)isoindolin-2-yl]ethyl]carbamic acid benzyl ester Formula: C20H16F3N3O3 MolecularWeight: 403.35455

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCN2C(C3=C(C2=O)C(=CC=C3)C(F)(F)F)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCN2C(C3=C(C2=O)C(=CC=C3)C(F)(F)F)C#N

InChI

InChI=1S/C20H16F3N3O3/c21-20(22,23)15-8-4-7-14-16(11-24)26(18(27)17(14)15)10-9-25-19(28)29-12-13-5-2-1-3-6-13/h1-8,16H,9-10,12H2,(H,25,28)