ethyl 4-(2-bromanylpyridin-4-yl)-5-phenyl-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 4-(2-bromanylpyridin-4-yl)-5-phenyl-1,2-oxazole-3-carboxylate Openeye Name: ethyl 4-(2-bromo-4-pyridyl)-5-phenyl-isoxazole-3-carboxylate CAS Name: 4-(2-bromo-4-pyridinyl)-5-phenyl-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-bromopyridin-4-yl)-5-phenyl-1,2-oxazole-3-carboxylate Traditional Name: 4-(2-bromo-4-pyridyl)-5-phenyl-isoxazole-3-carboxylic acid ethyl ester Formula: C17H13BrN2O3 MolecularWeight: 373.20072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1C2=CC(=NC=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NOC(=C1C2=CC(=NC=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C17H13BrN2O3/c1-2-22-17(21)15-14(12-8-9-19-13(18)10-12)16(23-20-15)11-6-4-3-5-7-11/h3-10H,2H2,1H3