3-(1-benzofuran-2-yl)-1-tert-butyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(1-benzofuran-2-yl)-1-tert-butyl-pyrazole-4-carboxylic acid Openeye Name: 3-(benzofuran-2-yl)-1-tert-butyl-pyrazole-4-carboxylic acid CAS Name: 3-(2-benzofuranyl)-1-tert-butyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(1-benzofuran-2-yl)-1-tert-butylpyrazole-4-carboxylic acid Traditional Name: 3-(benzofuran-2-yl)-1-tert-butyl-pyrazole-4-carboxylic acid Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=N1)C2=CC3=CC=CC=C3O2)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=N1)C2=CC3=CC=CC=C3O2)C(=O)O

InChI

InChI=1S/C16H16N2O3/c1-16(2,3)18-9-11(15(19)20)14(17-18)13-8-10-6-4-5-7-12(10)21-13/h4-9H,1-3H3,(H,19,20)