[4-(hydroxymethyl)cyclohexyl]methyl 2,2-dicyanoethanoate

Systemtic Name: [4-(hydroxymethyl)cyclohexyl]methyl 2,2-dicyanoethanoate Openeye Name: [4-(hydroxymethyl)cyclohexyl]methyl 2,2-dicyanoacetate CAS Name: 2,2-dicyanoacetic acid [4-(hydroxymethyl)cyclohexyl]methyl ester IUPAC Name: [4-(hydroxymethyl)cyclohexyl]methyl 2,2-dicyanoacetate Traditional Name: 2,2-dicyanoacetic acid (4-methylolcyclohexyl)methyl ester Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CO)COC(=O)C(C#N)C#N

Isomeric SMILES

C1CC(CCC1CO)COC(=O)C(C#N)C#N

InChI

InChI=1S/C12H16N2O3/c13-5-11(6-14)12(16)17-8-10-3-1-9(7-15)2-4-10/h9-11,15H,1-4,7-8H2