O1-tert-butyl O7-ethyl 7-cyano-1-azoniabicyclo[2.2.1]heptane-1,7-dicarboxylate

Systemtic Name: O1-tert-butyl O7-ethyl 7-cyano-1-azoniabicyclo[2.2.1]heptane-1,7-dicarboxylate Openeye Name: O1-tert-butyl O7-ethyl 7-cyano-1-azoniabicyclo[2.2.1]heptane-1,7-dicarboxylate CAS Name: 7-cyano-1-azoniabicyclo[2.2.1]heptane-1,7-dicarboxylic acid O1-tert-butyl ester O7-ethyl ester IUPAC Name: 1-O-tert-butyl 7-O-ethyl 7-cyano-1-azoniabicyclo[2.2.1]heptane-1,7-dicarboxylate Traditional Name: 7-cyano-1-azoniabicyclo[2.2.1]heptane-1,7-dicarboxylic acid O1-tert-butyl ester O7-ethyl ester Formula: C15H23N2O4+ MolecularWeight: 295.35412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2CC[N+]1(CC2)C(=O)OC(C)(C)C)C#N

Isomeric SMILES

CCOC(=O)C1(C2CC[N+]1(CC2)C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C15H23N2O4/c1-5-20-12(18)15(10-16)11-6-8-17(15,9-7-11)13(19)21-14(2,3)4/h11H,5-9H2,1-4H3/q+1