(phenylmethyl) N-[(E)-2-bromanylbut-2-enyl]-N-pent-3-ynyl-carbamate

Systemtic Name: (phenylmethyl) N-[(E)-2-bromanylbut-2-enyl]-N-pent-3-ynyl-carbamate Openeye Name: benzyl N-[(E)-2-bromobut-2-enyl]-N-pent-3-ynyl-carbamate CAS Name: N-[(E)-2-bromobut-2-enyl]-N-pent-3-ynylcarbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(E)-2-bromobut-2-enyl]-N-pent-3-ynylcarbamate Traditional Name: N-[(E)-2-bromobut-2-enyl]-N-pent-3-ynyl-carbamic acid benzyl ester Formula: C17H20BrNO2 MolecularWeight: 350.2502

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(CN(CCC#CC)C(=O)OCC1=CC=CC=C1)Br

Isomeric SMILES

C/C=C(\CN(CCC#CC)C(=O)OCC1=CC=CC=C1)/Br

InChI

InChI=1S/C17H20BrNO2/c1-3-5-9-12-19(13-16(18)4-2)17(20)21-14-15-10-7-6-8-11-15/h4,6-8,10-11H,9,12-14H2,1-2H3/b16-4+