(6-chloranyl-1H-indol-3-yl) 2-methyl-3-oxidanylidene-3-[5-(trifluoromethyl)pyridin-2-yl]propanoate

Systemtic Name: (6-chloranyl-1H-indol-3-yl) 2-methyl-3-oxidanylidene-3-[5-(trifluoromethyl)pyridin-2-yl]propanoate Openeye Name: (6-chloro-1H-indol-3-yl) 2-methyl-3-oxo-3-[5-(trifluoromethyl)-2-pyridyl]propanoate CAS Name: 2-methyl-3-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid (6-chloro-1H-indol-3-yl) ester IUPAC Name: (6-chloro-1H-indol-3-yl) 2-methyl-3-oxo-3-[5-(trifluoromethyl)pyridin-2-yl]propanoate Traditional Name: 3-keto-2-methyl-3-[5-(trifluoromethyl)-2-pyridyl]propionic acid (6-chloro-1H-indol-3-yl) ester Formula: C18H12ClF3N2O3 MolecularWeight: 396.74769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=NC=C(C=C1)C(F)(F)F)C(=O)OC2=CNC3=C2C=CC(=C3)Cl

Isomeric SMILES

CC(C(=O)C1=NC=C(C=C1)C(F)(F)F)C(=O)OC2=CNC3=C2C=CC(=C3)Cl

InChI

InChI=1S/C18H12ClF3N2O3/c1-9(16(25)13-5-2-10(7-23-13)18(20,21)22)17(26)27-15-8-24-14-6-11(19)3-4-12(14)15/h2-9,24H,1H3