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

Systemtic Name: 1-tert-butyl-5-methyl-pyrazole-3-carboxylate Openeye Name: 1-tert-butyl-5-methyl-pyrazole-3-carboxylate CAS Name: 1-tert-butyl-5-methyl-3-pyrazolecarboxylate IUPAC Name: 1-tert-butyl-5-methylpyrazole-3-carboxylate Traditional Name: 1-tert-butyl-5-methyl-pyrazole-3-carboxylate Formula: C9H13N2O2- MolecularWeight: 181.21172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=NN1C(C)(C)C)C(=O)[O-]

InChI

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