dimethyl 2-(2-benzamido-2-cyano-ethyl)propanedioate

Systemtic Name: dimethyl 2-(2-benzamido-2-cyano-ethyl)propanedioate Openeye Name: dimethyl 2-(2-benzamido-2-cyano-ethyl)propanedioate CAS Name: 2-(2-benzamido-2-cyanoethyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(2-benzamido-2-cyanoethyl)propanedioate Traditional Name: 2-(2-benzamido-2-cyano-ethyl)malonic acid dimethyl ester Formula: C15H16N2O5 MolecularWeight: 304.29794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O5/c1-21-14(19)12(15(20)22-2)8-11(9-16)17-13(18)10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3,(H,17,18)