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

Systemtic Name: 5-tert-butyl-1-phenyl-pyrazole-3-carboxylate Openeye Name: 5-tert-butyl-1-phenyl-pyrazole-3-carboxylate CAS Name: 5-tert-butyl-1-phenyl-3-pyrazolecarboxylate IUPAC Name: 5-tert-butyl-1-phenylpyrazole-3-carboxylate Traditional Name: 5-tert-butyl-1-phenyl-pyrazole-3-carboxylate Formula: C14H15N2O2- MolecularWeight: 243.2811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=NN1C2=CC=CC=C2)C(=O)[O-]

InChI

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