(3,3-dimethyl-2-oxidanylidene-butyl) (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4/c1-17(2,3)15(19)12-22-16(20)9-6-13-4-7-14(8-5-13)21-11-10-18/h4-9H,11-12H2,1-3H3/b9-6+