6-cyanohexyl 3-cyano-2-methyl-propanoate

Systemtic Name: 6-cyanohexyl 3-cyano-2-methyl-propanoate Openeye Name: 6-cyanohexyl 3-cyano-2-methyl-propanoate CAS Name: 3-cyano-2-methylpropanoic acid 6-cyanohexyl ester IUPAC Name: 6-cyanohexyl 3-cyano-2-methylpropanoate Traditional Name: 3-cyano-2-methyl-propionic acid 6-cyanohexyl ester Formula: C12H18N2O2 MolecularWeight: 222.28352

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#N)C(=O)OCCCCCCC#N

Isomeric SMILES

CC(CC#N)C(=O)OCCCCCCC#N

InChI

InChI=1S/C12H18N2O2/c1-11(7-9-14)12(15)16-10-6-4-2-3-5-8-13/h11H,2-7,10H2,1H3