tert-butyl (Z,2R)-2-cyano-5-oxidanylidene-2-phenyl-hex-3-enoate

Systemtic Name: tert-butyl (Z,2R)-2-cyano-5-oxidanylidene-2-phenyl-hex-3-enoate Openeye Name: tert-butyl (Z,2R)-2-cyano-5-oxo-2-phenyl-hex-3-enoate CAS Name: (Z,2R)-2-cyano-5-oxo-2-phenyl-3-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (Z,2R)-2-cyano-5-oxo-2-phenylhex-3-enoate Traditional Name: (Z,2R)-2-cyano-5-keto-2-phenyl-hex-3-enoic acid tert-butyl ester Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)/C=C\[C@](C#N)(C1=CC=CC=C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H19NO3/c1-13(19)10-11-17(12-18,14-8-6-5-7-9-14)15(20)21-16(2,3)4/h5-11H,1-4H3/b11-10-/t17-/m0/s1