dimethyl 2-(2-cyanoethyl)-2-prop-2-ynyl-propanedioate

Systemtic Name: dimethyl 2-(2-cyanoethyl)-2-prop-2-ynyl-propanedioate Openeye Name: dimethyl 2-(2-cyanoethyl)-2-prop-2-ynyl-propanedioate CAS Name: 2-(2-cyanoethyl)-2-prop-2-ynylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(2-cyanoethyl)-2-prop-2-ynylpropanedioate Traditional Name: 2-(2-cyanoethyl)-2-propargyl-malonic acid dimethyl ester Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4/c1-4-6-11(7-5-8-12,9(13)15-2)10(14)16-3/h1H,5-7H2,2-3H3