8-azabicyclo[2.2.2]octa-1,3,5-triene; 2-ethylbenzoate

Systemtic Name: 8-azabicyclo[2.2.2]octa-1,3,5-triene; 2-ethylbenzoate Openeye Name: 8-azabicyclo[2.2.2]octa-1,3,5-triene; 2-ethylbenzoate CAS Name: 8-azabicyclo[2.2.2]octa-1,3,5-triene; 2-ethylbenzoate IUPAC Name: 8-azabicyclo[2.2.2]octa-1,3,5-triene; 2-ethylbenzoate Traditional Name: 8-azabicyclo[2.2.2]octa-1,3,5-triene; 2-ethylbenzoate Formula: C16H16NO2- MolecularWeight: 254.30374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=O)[O-].C1C2=CC=C(N1)C=C2

Isomeric SMILES

CCC1=CC=CC=C1C(=O)[O-].C1C2=CC=C(N1)C=C2

InChI

InChI=1S/C9H10O2.C7H7N/c1-2-7-5-3-4-6-8(7)9(10)11;1-3-7-4-2-6(1)5-8-7/h3-6H,2H2,1H3,(H,10,11);1-4,8H,5H2/p-1