octan-2-yl 2-cyanoethanoate

Systemtic Name: octan-2-yl 2-cyanoethanoate Openeye Name: 1-methylheptyl 2-cyanoacetate CAS Name: 2-cyanoacetic acid octan-2-yl ester IUPAC Name: octan-2-yl 2-cyanoacetate Traditional Name: 2-cyanoacetic acid 1-methylheptyl ester Formula: C11H19NO2 MolecularWeight: 197.27406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19NO2/c1-3-4-5-6-7-10(2)14-11(13)8-9-12/h10H,3-8H2,1-2H3