5-(2,2-dimethylpropoxy)-1-(2-ethoxy-2-oxidanylidene-ethyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(2,2-dimethylpropoxy)-1-(2-ethoxy-2-oxidanylidene-ethyl)pyrazole-3-carboxylic acid Openeye Name: 5-(2,2-dimethylpropoxy)-1-(2-ethoxy-2-oxo-ethyl)pyrazole-3-carboxylic acid CAS Name: 5-(2,2-dimethylpropoxy)-1-(2-ethoxy-2-oxoethyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(2,2-dimethylpropoxy)-1-(2-ethoxy-2-oxoethyl)pyrazole-3-carboxylic acid Traditional Name: 1-(2-ethoxy-2-keto-ethyl)-5-neopentyloxy-pyrazole-3-carboxylic acid Formula: C13H20N2O5 MolecularWeight: 284.3083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=CC(=N1)C(=O)O)OCC(C)(C)C

Isomeric SMILES

CCOC(=O)CN1C(=CC(=N1)C(=O)O)OCC(C)(C)C

InChI

InChI=1S/C13H20N2O5/c1-5-19-11(16)7-15-10(20-8-13(2,3)4)6-9(14-15)12(17)18/h6H,5,7-8H2,1-4H3,(H,17,18)