4-[(E)-2-[2-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-[2-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]benzoic acid Openeye Name: 4-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]vinyl]benzoic acid CAS Name: 4-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]benzoic acid Traditional Name: 4-[(E)-2-[2-keto-6-(trifluoromethyl)-1H-pyrimidin-4-yl]vinyl]benzoic acid Formula: C14H9F3N2O3 MolecularWeight: 310.22807

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=NC(=O)NC(=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C/C2=NC(=O)NC(=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C14H9F3N2O3/c15-14(16,17)11-7-10(18-13(22)19-11)6-3-8-1-4-9(5-2-8)12(20)21/h1-7H,(H,20,21)(H,18,19,22)/b6-3+