5-methylhexan-2-yl 2-cyanoethanoate

Systemtic Name: 5-methylhexan-2-yl 2-cyanoethanoate Openeye Name: 1,4-dimethylpentyl 2-cyanoacetate CAS Name: 2-cyanoacetic acid 5-methylhexan-2-yl ester IUPAC Name: 5-methylhexan-2-yl 2-cyanoacetate Traditional Name: 2-cyanoacetic acid 1,4-dimethylpentyl ester Formula: C10H17NO2 MolecularWeight: 183.24748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)OC(=O)CC#N

Isomeric SMILES

CC(C)CCC(C)OC(=O)CC#N

InChI

InChI=1S/C10H17NO2/c1-8(2)4-5-9(3)13-10(12)6-7-11/h8-9H,4-6H2,1-3H3