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

Systemtic Name: (E)-2-cyano-3,3-dimethyl-7-[(2-methylpropan-2-yl)oxy]-7-oxidanylidene-hept-5-enoic acid Openeye Name: (E)-7-tert-butoxy-2-cyano-3,3-dimethyl-7-oxo-hept-5-enoic acid CAS Name: (E)-2-cyano-3,3-dimethyl-7-[(2-methylpropan-2-yl)oxy]-7-oxo-5-heptenoic acid IUPAC Name: (E)-2-cyano-3,3-dimethyl-7-[(2-methylpropan-2-yl)oxy]-7-oxohept-5-enoic acid Traditional Name: (E)-7-tert-butoxy-2-cyano-7-keto-3,3-dimethyl-hept-5-enoic acid Formula: C14H21NO4 MolecularWeight: 267.32084

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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)/b7-6+