dimethyl 2-[(E)-3-cyano-1-phenyl-prop-2-enyl]propanedioate

Systemtic Name: dimethyl 2-[(E)-3-cyano-1-phenyl-prop-2-enyl]propanedioate Openeye Name: dimethyl 2-[(E)-3-cyano-1-phenyl-allyl]propanedioate CAS Name: 2-[(E)-3-cyano-1-phenylprop-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-3-cyano-1-phenylprop-2-enyl]propanedioate Traditional Name: 2-[(E)-3-cyano-1-phenyl-allyl]malonic acid dimethyl ester Formula: C15H15NO4 MolecularWeight: 273.2839

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C=CC#N)C1=CC=CC=C1)C(=O)OC

Isomeric SMILES

COC(=O)C(C(/C=C/C#N)C1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C15H15NO4/c1-19-14(17)13(15(18)20-2)12(9-6-10-16)11-7-4-3-5-8-11/h3-9,12-13H,1-2H3/b9-6+