(1-cyano-3,3-dimethyl-butyl) furan-2-carboxylate

Systemtic Name: (1-cyano-3,3-dimethyl-butyl) furan-2-carboxylate Openeye Name: (1-cyano-3,3-dimethyl-butyl) furan-2-carboxylate CAS Name: 2-furancarboxylic acid (1-cyano-3,3-dimethylbutyl) ester IUPAC Name: (1-cyano-3,3-dimethylbutyl) furan-2-carboxylate Traditional Name: furan-2-carboxylic acid (1-cyano-3,3-dimethyl-butyl) ester Formula: C12H15NO3 MolecularWeight: 221.2524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C#N)OC(=O)C1=CC=CO1

Isomeric SMILES

CC(C)(C)CC(C#N)OC(=O)C1=CC=CO1

InChI

InChI=1S/C12H15NO3/c1-12(2,3)7-9(8-13)16-11(14)10-5-4-6-15-10/h4-6,9H,7H2,1-3H3