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

Systemtic Name: pentan-2-yl (E)-3-cyano-2-oxidanyl-3-phenyl-prop-2-enoate Openeye Name: 1-methylbutyl (E)-3-cyano-2-hydroxy-3-phenyl-prop-2-enoate CAS Name: (E)-3-cyano-2-hydroxy-3-phenyl-2-propenoic acid pentan-2-yl ester IUPAC Name: pentan-2-yl (E)-3-cyano-2-hydroxy-3-phenylprop-2-enoate Traditional Name: (E)-3-cyano-2-hydroxy-3-phenyl-acrylic acid 1-methylbutyl ester Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO3/c1-3-7-11(2)19-15(18)14(17)13(10-16)12-8-5-4-6-9-12/h4-6,8-9,11,17H,3,7H2,1-2H3/b14-13-