ethyl 2-[3-[[4-bromanyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridin-2-yl]ethanoate

Systemtic Name: ethyl 2-[3-[[4-bromanyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridin-2-yl]ethanoate Openeye Name: ethyl 2-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]-2-pyridyl]acetate CAS Name: 2-[3-[[4-bromo-3-(trifluoromethyl)anilino]-oxomethyl]-2-pyridinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]pyridin-2-yl]acetate Traditional Name: 2-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]-2-pyridyl]acetic acid ethyl ester Formula: C17H14BrF3N2O3 MolecularWeight: 431.20387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C=CC=N1)C(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F

Isomeric SMILES

CCOC(=O)CC1=C(C=CC=N1)C(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F

InChI

InChI=1S/C17H14BrF3N2O3/c1-2-26-15(24)9-14-11(4-3-7-22-14)16(25)23-10-5-6-13(18)12(8-10)17(19,20)21/h3-8H,2,9H2,1H3,(H,23,25)