2-[bis(oxidanyl)methylidene]-3-oxidanylidene-N-[4-(trifluoromethyl)phenyl]butanenitrilium

Systemtic Name: 2-[bis(oxidanyl)methylidene]-3-oxidanylidene-N-[4-(trifluoromethyl)phenyl]butanenitrilium Openeye Name: 2-(dihydroxymethylene)-3-oxo-N-[4-(trifluoromethyl)phenyl]butanenitrilium CAS Name: 2-(dihydroxymethylidene)-3-oxo-N-[4-(trifluoromethyl)phenyl]butanenitrilium IUPAC Name: 2-(dihydroxymethylidene)-3-oxo-N-[4-(trifluoromethyl)phenyl]butanenitrilium Traditional Name: 2-acetyl-3,3-dihydroxy-N-[4-(trifluoromethyl)phenyl]acrylonitrilium Formula: C12H9F3NO3+ MolecularWeight: 272.19997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(O)O)C#[N+]C1=CC=C(C=C1)C(F)(F)F

Isomeric SMILES

CC(=O)C(=C(O)O)C#[N+]C1=CC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C12H8F3NO3/c1-7(17)10(11(18)19)6-16-9-4-2-8(3-5-9)12(13,14)15/h2-5H,1H3,(H,18,19)/p+1