(3,3-dimethyl-2-oxidanylidene-butyl) (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C17H19NO4 MolecularWeight: 301.33706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C(=CC1=CC=C(C=C1)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4/c1-17(2,3)15(19)11-22-16(20)13(10-18)9-12-5-7-14(21-4)8-6-12/h5-9H,11H2,1-4H3/b13-9+