methyl 5-tert-butyl-1H-pyrazole-3-carboxylate

Systemtic Name: methyl 5-tert-butyl-1H-pyrazole-3-carboxylate Openeye Name: methyl 5-tert-butyl-1H-pyrazole-3-carboxylate CAS Name: 5-tert-butyl-1H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-tert-butyl-1H-pyrazole-3-carboxylate Traditional Name: 5-tert-butyl-1H-pyrazole-3-carboxylic acid methyl ester Formula: C9H14N2O2 MolecularWeight: 182.21966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=NN1)C(=O)OC

InChI

InChI=1S/C9H14N2O2/c1-9(2,3)7-5-6(10-11-7)8(12)13-4/h5H,1-4H3,(H,10,11)