(2Z)-2-methyl-3-oxidanyl-hexa-2,5-dienenitrile; [4-(trifluoromethyl)phenyl]carbamic acid

Systemtic Name: (2Z)-2-methyl-3-oxidanyl-hexa-2,5-dienenitrile; [4-(trifluoromethyl)phenyl]carbamic acid Openeye Name: (2Z)-3-hydroxy-2-methyl-hexa-2,5-dienenitrile; [4-(trifluoromethyl)phenyl]carbamic acid CAS Name: (2Z)-3-hydroxy-2-methylhexa-2,5-dienenitrile; [4-(trifluoromethyl)phenyl]carbamic acid IUPAC Name: (2Z)-3-hydroxy-2-methylhexa-2,5-dienenitrile; [4-(trifluoromethyl)phenyl]carbamic acid Traditional Name: (2Z)-3-hydroxy-2-methyl-hexa-2,5-dienenitrile; [4-(trifluoromethyl)phenyl]carbamic acid Formula: C15H15F3N2O3 MolecularWeight: 328.28641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(CC=C)O)C#N.C1=CC(=CC=C1C(F)(F)F)NC(=O)O

Isomeric SMILES

C/C(=C(\CC=C)/O)/C#N.C1=CC(=CC=C1C(F)(F)F)NC(=O)O

InChI

InChI=1S/C8H6F3NO2.C7H9NO/c9-8(10,11)5-1-3-6(4-2-5)12-7(13)14;1-3-4-7(9)6(2)5-8/h1-4,12H,(H,13,14);3,9H,1,4H2,2H3/b;7-6-