dimethyl 2-(cyanomethyl)-2-hex-2-ynyl-propanedioate

Systemtic Name: dimethyl 2-(cyanomethyl)-2-hex-2-ynyl-propanedioate Openeye Name: dimethyl 2-(cyanomethyl)-2-hex-2-ynyl-propanedioate CAS Name: 2-(cyanomethyl)-2-hex-2-ynylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(cyanomethyl)-2-hex-2-ynylpropanedioate Traditional Name: 2-(cyanomethyl)-2-hex-2-ynyl-malonic acid dimethyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-4-5-6-7-8-13(9-10-14,11(15)17-2)12(16)18-3/h4-5,8-9H2,1-3H3