5-(2-cyanophenoxy)-1,3-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-(2-cyanophenoxy)-1,3-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 5-(2-cyanophenoxy)-1,3-dimethyl-pyrazole-4-carboxylic acid CAS Name: 5-(2-cyanophenoxy)-1,3-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 5-(2-cyanophenoxy)-1,3-dimethylpyrazole-4-carboxylic acid Traditional Name: 5-(2-cyanophenoxy)-1,3-dimethyl-pyrazole-4-carboxylic acid Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O)OC2=CC=CC=C2C#N)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)O)OC2=CC=CC=C2C#N)C

InChI

InChI=1S/C13H11N3O3/c1-8-11(13(17)18)12(16(2)15-8)19-10-6-4-3-5-9(10)7-14/h3-6H,1-2H3,(H,17,18)