2-methyl-4-oxidanyl-5-oxidanylidene-1-(phenylmethyl)-4-(trifluoromethyl)pyrrole-3-carbonitrile

Systemtic Name: 2-methyl-4-oxidanyl-5-oxidanylidene-1-(phenylmethyl)-4-(trifluoromethyl)pyrrole-3-carbonitrile Openeye Name: 1-benzyl-4-hydroxy-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carbonitrile CAS Name: 4-hydroxy-2-methyl-5-oxo-1-(phenylmethyl)-4-(trifluoromethyl)-3-pyrrolecarbonitrile IUPAC Name: 1-benzyl-4-hydroxy-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carbonitrile Traditional Name: 1-benzyl-4-hydroxy-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carbonitrile Formula: C14H11F3N2O2 MolecularWeight: 296.24455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1CC2=CC=CC=C2)(C(F)(F)F)O)C#N

Isomeric SMILES

CC1=C(C(C(=O)N1CC2=CC=CC=C2)(C(F)(F)F)O)C#N

InChI

InChI=1S/C14H11F3N2O2/c1-9-11(7-18)13(21,14(15,16)17)12(20)19(9)8-10-5-3-2-4-6-10/h2-6,21H,8H2,1H3