tert-butyl 4-methanoylpyrazole-1-carboxylate

Systemtic Name: tert-butyl 4-methanoylpyrazole-1-carboxylate Openeye Name: tert-butyl 4-formylpyrazole-1-carboxylate CAS Name: 4-formyl-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-formylpyrazole-1-carboxylate Traditional Name: 4-formylpyrazole-1-carboxylic acid tert-butyl ester Formula: C9H12N2O3 MolecularWeight: 196.20318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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