(1R,6R)-6-(3,5-dimethylpyrazol-1-yl)carbonylcyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6R)-6-(3,5-dimethylpyrazol-1-yl)carbonylcyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-(3,5-dimethylpyrazole-1-carbonyl)cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[(3,5-dimethyl-1-pyrazolyl)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-(3,5-dimethylpyrazole-1-carbonyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-(3,5-dimethylpyrazole-1-carbonyl)cyclohex-3-ene-1-carboxylate Formula: C13H15N2O3- MolecularWeight: 247.2698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)C2CC=CCC2C(=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])C

InChI

InChI=1S/C13H16N2O3/c1-8-7-9(2)15(14-8)12(16)10-5-3-4-6-11(10)13(17)18/h3-4,7,10-11H,5-6H2,1-2H3,(H,17,18)/p-1/t10-,11-/m1/s1