5-methoxy-4-oxidanylidene-1-[4-(trifluoromethyl)phenyl]cinnoline-3-carboxylic acid

Systemtic Name: 5-methoxy-4-oxidanylidene-1-[4-(trifluoromethyl)phenyl]cinnoline-3-carboxylic acid Openeye Name: 5-methoxy-4-oxo-1-[4-(trifluoromethyl)phenyl]cinnoline-3-carboxylic acid CAS Name: 5-methoxy-4-oxo-1-[4-(trifluoromethyl)phenyl]-3-cinnolinecarboxylic acid IUPAC Name: 5-methoxy-4-oxo-1-[4-(trifluoromethyl)phenyl]cinnoline-3-carboxylic acid Traditional Name: 4-keto-5-methoxy-1-[4-(trifluoromethyl)phenyl]cinnoline-3-carboxylic acid Formula: C17H11F3N2O4 MolecularWeight: 364.27545

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=O)C(=NN2C3=CC=C(C=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

COC1=CC=CC2=C1C(=O)C(=NN2C3=CC=C(C=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H11F3N2O4/c1-26-12-4-2-3-11-13(12)15(23)14(16(24)25)21-22(11)10-7-5-9(6-8-10)17(18,19)20/h2-8H,1H3,(H,24,25)