3-tert-butyl-1-methyl-pyrazole-4-carboxylate

Systemtic Name: 3-tert-butyl-1-methyl-pyrazole-4-carboxylate Openeye Name: 3-tert-butyl-1-methyl-pyrazole-4-carboxylate CAS Name: 3-tert-butyl-1-methyl-4-pyrazolecarboxylate IUPAC Name: 3-tert-butyl-1-methylpyrazole-4-carboxylate Traditional Name: 3-tert-butyl-1-methyl-pyrazole-4-carboxylate Formula: C9H13N2O2- MolecularWeight: 181.21172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1C(=O)[O-])C

Isomeric SMILES

CC(C)(C)C1=NN(C=C1C(=O)[O-])C

InChI

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