3-[[3,5-bis(fluoranyl)phenyl]methyl]-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; ethyl N-chloranyl-N-ethyl-carbamate

Systemtic Name: 3-[[3,5-bis(fluoranyl)phenyl]methyl]-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; ethyl N-chloranyl-N-ethyl-carbamate Openeye Name: 3-[(3,5-difluorophenyl)methyl]-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; ethyl N-chloro-N-ethyl-carbamate CAS Name: N-chloro-N-ethylcarbamic acid ethyl ester; 3-[(3,5-difluorophenyl)methyl]-7-oxabicyclo[2.2.1]hepta-1,3,5-triene IUPAC Name: 3-[(3,5-difluorophenyl)methyl]-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; ethyl N-chloro-N-ethylcarbamate Traditional Name: N-chloro-N-ethyl-carbamic acid ethyl ester; 3-(3,5-difluorobenzyl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene Formula: C18H18ClF2NO3 MolecularWeight: 369.790226

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)OCC)Cl.C1=CC2=C(C=C1O2)CC3=CC(=CC(=C3)F)F

Isomeric SMILES

CCN(C(=O)OCC)Cl.C1=CC2=C(C=C1O2)CC3=CC(=CC(=C3)F)F

InChI

InChI=1S/C13H8F2O.C5H10ClNO2/c14-10-4-8(5-11(15)7-10)3-9-6-12-1-2-13(9)16-12;1-3-7(6)5(8)9-4-2/h1-2,4-7H,3H2;3-4H2,1-2H3