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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=CC1=CC=CC=C1)C#N)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO4/c1-19-14(17)13(15(18)20-2)9-12(10-16)8-11-6-4-3-5-7-11/h3-8,13H,9H2,1-2H3/b12-8+