ethyl 2-bromanyl-2-formamido-hexanoate; 7-oxabicyclo[4.2.0]octa-1,3,5-triene

Systemtic Name: ethyl 2-bromanyl-2-formamido-hexanoate; 7-oxabicyclo[4.2.0]octa-1,3,5-triene Openeye Name: ethyl 2-bromo-2-formamido-hexanoate; 7-oxabicyclo[4.2.0]octa-1,3,5-triene CAS Name: 2-bromo-2-formamidohexanoic acid ethyl ester; 7-oxabicyclo[4.2.0]octa-1,3,5-triene IUPAC Name: ethyl 2-bromo-2-formamidohexanoate; 7-oxabicyclo[4.2.0]octa-1,3,5-triene Traditional Name: 2-bromo-2-formamido-hexanoic acid ethyl ester; 7-oxabicyclo[4.2.0]octa-1,3,5-triene Formula: C16H22BrNO4 MolecularWeight: 372.25418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC)(NC=O)Br.C1C2=CC=CC=C2O1

Isomeric SMILES

CCCCC(C(=O)OCC)(NC=O)Br.C1C2=CC=CC=C2O1

InChI

InChI=1S/C9H16BrNO3.C7H6O/c1-3-5-6-9(10,11-7-12)8(13)14-4-2;1-2-4-7-6(3-1)5-8-7/h7H,3-6H2,1-2H3,(H,11,12);1-4H,5H2