ethyl (E)-2-cyano-4-deuterio-3-phenyl-but-2-enoate

Systemtic Name: ethyl (E)-2-cyano-4-deuterio-3-phenyl-but-2-enoate Openeye Name: ethyl (E)-2-cyano-4-deuterio-3-phenyl-but-2-enoate CAS Name: (E)-2-cyano-4-deuterio-3-phenyl-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-4-deuterio-3-phenylbut-2-enoate Traditional Name: (E)-2-cyano-4-deuterio-3-phenyl-but-2-enoic acid ethyl ester Formula: C13H13NO2 MolecularWeight: 216.253982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)C1=CC=CC=C1)C#N

Isomeric SMILES

[2H]C/C(=C(/C#N)\C(=O)OCC)/C1=CC=CC=C1

InChI

InChI=1S/C13H13NO2/c1-3-16-13(15)12(9-14)10(2)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3/b12-10+/i2D