1-cyanoethenyl (1S,4R)-1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate

Systemtic Name: 1-cyanoethenyl (1S,4R)-1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate Openeye Name: 1-cyanovinyl (1S,4R)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate CAS Name: (1S,4R)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid 1-cyanoethenyl ester IUPAC Name: 1-cyanoethenyl (1S,4R)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate Traditional Name: (1S,4R)-2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid 1-cyanovinyl ester Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(CCC1(OC2=O)C(=O)OC(=C)C#N)C)C

Isomeric SMILES

C[C@]12CC[C@](C1(C)C)(OC2=O)C(=O)OC(=C)C#N

InChI

InChI=1S/C13H15NO4/c1-8(7-14)17-10(16)13-6-5-12(4,9(15)18-13)11(13,2)3/h1,5-6H2,2-4H3/t12-,13+/m1/s1