dimethyl 2-(1-cyanopropan-2-yl)propanedioate

Systemtic Name: dimethyl 2-(1-cyanopropan-2-yl)propanedioate Openeye Name: dimethyl 2-(2-cyano-1-methyl-ethyl)propanedioate CAS Name: 2-(1-cyanopropan-2-yl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(1-cyanopropan-2-yl)propanedioate Traditional Name: 2-(2-cyano-1-methyl-ethyl)malonic acid dimethyl ester Formula: C9H13NO4 MolecularWeight: 199.20382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13NO4/c1-6(4-5-10)7(8(11)13-2)9(12)14-3/h6-7H,4H2,1-3H3