2-(2-adamantylidene)-2-cyano-ethanoic acid

Systemtic Name: 2-(2-adamantylidene)-2-cyano-ethanoic acid Openeye Name: 2-(2-adamantylidene)-2-cyano-acetic acid CAS Name: 2-(2-adamantylidene)-2-cyanoacetic acid IUPAC Name: 2-(2-adamantylidene)-2-cyanoacetic acid Traditional Name: 2-(2-adamantylidene)-2-cyano-acetic acid Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3=C(C#N)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3=C(C#N)C(=O)O

InChI

InChI=1S/C13H15NO2/c14-6-11(13(15)16)12-9-2-7-1-8(4-9)5-10(12)3-7/h7-10H,1-5H2,(H,15,16)