pyrimidin-2-yl 1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate

Systemtic Name: pyrimidin-2-yl 1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate Openeye Name: pyrimidin-2-yl 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate CAS Name: 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid 2-pyrimidinyl ester IUPAC Name: pyrimidin-2-yl 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate Traditional Name: 2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid 2-pyrimidyl ester Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(CCC1(OC2=O)C(=O)OC3=NC=CC=N3)C)C

Isomeric SMILES

CC1(C2(CCC1(OC2=O)C(=O)OC3=NC=CC=N3)C)C

InChI

InChI=1S/C14H16N2O4/c1-12(2)13(3)5-6-14(12,20-9(13)17)10(18)19-11-15-7-4-8-16-11/h4,7-8H,5-6H2,1-3H3