dimethyl 2-[(2-cyanophenyl)methyl]-2-prop-2-enyl-propanedioate

Systemtic Name: dimethyl 2-[(2-cyanophenyl)methyl]-2-prop-2-enyl-propanedioate Openeye Name: dimethyl 2-allyl-2-[(2-cyanophenyl)methyl]propanedioate CAS Name: 2-[(2-cyanophenyl)methyl]-2-prop-2-enylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(2-cyanophenyl)methyl]-2-prop-2-enylpropanedioate Traditional Name: 2-allyl-2-(2-cyanobenzyl)malonic acid dimethyl ester Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=C)(CC1=CC=CC=C1C#N)C(=O)OC

Isomeric SMILES

COC(=O)C(CC=C)(CC1=CC=CC=C1C#N)C(=O)OC

InChI

InChI=1S/C16H17NO4/c1-4-9-16(14(18)20-2,15(19)21-3)10-12-7-5-6-8-13(12)11-17/h4-8H,1,9-10H2,2-3H3