propan-2-yl (E)-3-cyano-2-oxidanyl-3-phenyl-prop-2-enoate

Systemtic Name: propan-2-yl (E)-3-cyano-2-oxidanyl-3-phenyl-prop-2-enoate Openeye Name: isopropyl (E)-3-cyano-2-hydroxy-3-phenyl-prop-2-enoate CAS Name: (E)-3-cyano-2-hydroxy-3-phenyl-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-3-cyano-2-hydroxy-3-phenylprop-2-enoate Traditional Name: (E)-3-cyano-2-hydroxy-3-phenyl-acrylic acid isopropyl ester Formula: C13H13NO3 MolecularWeight: 231.24722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO3/c1-9(2)17-13(16)12(15)11(8-14)10-6-4-3-5-7-10/h3-7,9,15H,1-2H3/b12-11-