1-butyl-4-oxidanylidene-3-[[3-(trifluoromethyl)phenyl]carbamoyl]quinolin-2-olate

Systemtic Name: 1-butyl-4-oxidanylidene-3-[[3-(trifluoromethyl)phenyl]carbamoyl]quinolin-2-olate Openeye Name: 1-butyl-4-oxo-3-[[3-(trifluoromethyl)phenyl]carbamoyl]quinolin-2-olate CAS Name: 1-butyl-4-oxo-3-[oxo-[3-(trifluoromethyl)anilino]methyl]-2-quinolinolate IUPAC Name: 1-butyl-4-oxo-3-[[3-(trifluoromethyl)phenyl]carbamoyl]quinolin-2-olate Traditional Name: 1-butyl-4-keto-3-[[3-(trifluoromethyl)phenyl]carbamoyl]quinolin-2-olate Formula: C21H18F3N2O3- MolecularWeight: 403.37443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H19F3N2O3/c1-2-3-11-26-16-10-5-4-9-15(16)18(27)17(20(26)29)19(28)25-14-8-6-7-13(12-14)21(22,23)24/h4-10,12,29H,2-3,11H2,1H3,(H,25,28)/p-1