2-(3,5-dimethylpyrazol-1-yl)carbonyl-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)carbonyl-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: 2-(3,5-dimethylpyrazole-1-carbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: 2-[(3,5-dimethyl-1-pyrazolyl)-oxomethyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid IUPAC Name: 2-(3,5-dimethylpyrazole-1-carbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: 2-(3,5-dimethylpyrazole-1-carbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)C2C3C=CC(C2C(=O)O)O3)C

Isomeric SMILES

CC1=CC(=NN1C(=O)C2C3C=CC(C2C(=O)O)O3)C

InChI

InChI=1S/C13H14N2O4/c1-6-5-7(2)15(14-6)12(16)10-8-3-4-9(19-8)11(10)13(17)18/h3-5,8-11H,1-2H3,(H,17,18)