(phenylmethyl) N-[3-(5-bromanylpyridin-2-yl)prop-2-ynyl]carbamate

Systemtic Name: (phenylmethyl) N-[3-(5-bromanylpyridin-2-yl)prop-2-ynyl]carbamate Openeye Name: benzyl N-[3-(5-bromo-2-pyridyl)prop-2-ynyl]carbamate CAS Name: N-[3-(5-bromo-2-pyridinyl)prop-2-ynyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-(5-bromopyridin-2-yl)prop-2-ynyl]carbamate Traditional Name: N-[3-(5-bromo-2-pyridyl)prop-2-ynyl]carbamic acid benzyl ester Formula: C16H13BrN2O2 MolecularWeight: 345.19062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC#CC2=NC=C(C=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC#CC2=NC=C(C=C2)Br

InChI

InChI=1S/C16H13BrN2O2/c17-14-8-9-15(19-11-14)7-4-10-18-16(20)21-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,10,12H2,(H,18,20)