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

Systemtic Name: 1-tert-butyl-5-methanoyl-pyrazole-4-carboxylic acid Openeye Name: 1-tert-butyl-5-formyl-pyrazole-4-carboxylic acid CAS Name: 1-tert-butyl-5-formyl-4-pyrazolecarboxylic acid IUPAC Name: 1-tert-butyl-5-formylpyrazole-4-carboxylic acid Traditional Name: 1-tert-butyl-5-formyl-pyrazole-4-carboxylic acid Formula: C9H12N2O3 MolecularWeight: 196.20318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O3/c1-9(2,3)11-7(5-12)6(4-10-11)8(13)14/h4-5H,1-3H3,(H,13,14)