bromanylmethane; (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 9-oxidanylxanthene-9-carboxylate

Systemtic Name: bromanylmethane; (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 9-oxidanylxanthene-9-carboxylate Openeye Name: bromomethane; (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 9-hydroxyxanthene-9-carboxylate CAS Name: bromomethane; 9-hydroxy-9-xanthenecarboxylic acid (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) ester IUPAC Name: bromomethane; (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 9-hydroxyxanthene-9-carboxylate Traditional Name: bromomethane; 9-hydroxyxanthene-9-carboxylic acid (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) ester Formula: C23H24BrNO4 MolecularWeight: 458.34496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2CC(CC1C=C2)OC(=O)C3(C4=CC=CC=C4OC5=CC=CC=C53)O.CBr

Isomeric SMILES

CN1C2CC(CC1C=C2)OC(=O)C3(C4=CC=CC=C4OC5=CC=CC=C53)O.CBr

InChI

InChI=1S/C22H21NO4.CH3Br/c1-23-14-10-11-15(23)13-16(12-14)26-21(24)22(25)17-6-2-4-8-19(17)27-20-9-5-3-7-18(20)22;1-2/h2-11,14-16,25H,12-13H2,1H3;1H3