(E)-2-cyano-3,3-dimethyl-7-[(2-methylpropan-2-yl)oxy]-7-oxidanylidene-hept-5-enoate

Systemtic Name: (E)-2-cyano-3,3-dimethyl-7-[(2-methylpropan-2-yl)oxy]-7-oxidanylidene-hept-5-enoate Openeye Name: (E)-7-tert-butoxy-2-cyano-3,3-dimethyl-7-oxo-hept-5-enoate CAS Name: (E)-2-cyano-3,3-dimethyl-7-[(2-methylpropan-2-yl)oxy]-7-oxo-5-heptenoate IUPAC Name: (E)-2-cyano-3,3-dimethyl-7-[(2-methylpropan-2-yl)oxy]-7-oxohept-5-enoate Traditional Name: (E)-7-tert-butoxy-2-cyano-7-keto-3,3-dimethyl-hept-5-enoate Formula: C14H20NO4- MolecularWeight: 266.3129

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CCC(C)(C)C(C#N)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/CC(C)(C)C(C#N)C(=O)[O-]

InChI

InChI=1S/C14H21NO4/c1-13(2,3)19-11(16)7-6-8-14(4,5)10(9-15)12(17)18/h6-7,10H,8H2,1-5H3,(H,17,18)/p-1/b7-6+