1-tert-butyl-5-cyano-pyrazole-4-carboxylic acid

Systemtic Name: 1-tert-butyl-5-cyano-pyrazole-4-carboxylic acid Openeye Name: 1-tert-butyl-5-cyano-pyrazole-4-carboxylic acid CAS Name: 1-tert-butyl-5-cyano-4-pyrazolecarboxylic acid IUPAC Name: 1-tert-butyl-5-cyanopyrazole-4-carboxylic acid Traditional Name: 1-tert-butyl-5-cyano-pyrazole-4-carboxylic acid Formula: C9H11N3O2 MolecularWeight: 193.20254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C=N1)C(=O)O)C#N

Isomeric SMILES

CC(C)(C)N1C(=C(C=N1)C(=O)O)C#N

InChI

InChI=1S/C9H11N3O2/c1-9(2,3)12-7(4-10)6(5-11-12)8(13)14/h5H,1-3H3,(H,13,14)