1-(4-tert-butylphenyl)pyrazole-3-carboxylate

Systemtic Name: 1-(4-tert-butylphenyl)pyrazole-3-carboxylate Openeye Name: 1-(4-tert-butylphenyl)pyrazole-3-carboxylate CAS Name: 1-(4-tert-butylphenyl)-3-pyrazolecarboxylate IUPAC Name: 1-(4-tert-butylphenyl)pyrazole-3-carboxylate Traditional Name: 1-(4-tert-butylphenyl)pyrazole-3-carboxylate Formula: C14H15N2O2- MolecularWeight: 243.2811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C=CC(=N2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C=CC(=N2)C(=O)[O-]

InChI

InChI=1S/C14H16N2O2/c1-14(2,3)10-4-6-11(7-5-10)16-9-8-12(15-16)13(17)18/h4-9H,1-3H3,(H,17,18)/p-1