tert-butyl (1R,5R)-4-ethanoyl-8-azabicyclo[3.2.1]octa-3,6-diene-8-carboxylate

Systemtic Name: tert-butyl (1R,5R)-4-ethanoyl-8-azabicyclo[3.2.1]octa-3,6-diene-8-carboxylate Openeye Name: tert-butyl (1R,5R)-4-acetyl-8-azabicyclo[3.2.1]octa-3,6-diene-8-carboxylate CAS Name: (1R,5R)-4-acetyl-8-azabicyclo[3.2.1]octa-3,6-diene-8-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,5R)-4-acetyl-8-azabicyclo[3.2.1]octa-3,6-diene-8-carboxylate Traditional Name: (1R,5R)-4-acetyl-8-azabicyclo[3.2.1]octa-3,6-diene-8-carboxylic acid tert-butyl ester Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CCC2C=CC1N2C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C1=CC[C@@H]2C=C[C@H]1N2C(=O)OC(C)(C)C

InChI

InChI=1S/C14H19NO3/c1-9(16)11-7-5-10-6-8-12(11)15(10)13(17)18-14(2,3)4/h6-8,10,12H,5H2,1-4H3/t10-,12-/m1/s1