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

Systemtic Name: 1-tert-butyl-3-(2-ethoxyphenyl)pyrazole-4-carboxylic acid Openeye Name: 1-tert-butyl-3-(2-ethoxyphenyl)pyrazole-4-carboxylic acid CAS Name: 1-tert-butyl-3-(2-ethoxyphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-tert-butyl-3-(2-ethoxyphenyl)pyrazole-4-carboxylic acid Traditional Name: 1-tert-butyl-3-o-phenetyl-pyrazole-4-carboxylic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NN(C=C2C(=O)O)C(C)(C)C

Isomeric SMILES

CCOC1=CC=CC=C1C2=NN(C=C2C(=O)O)C(C)(C)C

InChI

InChI=1S/C16H20N2O3/c1-5-21-13-9-7-6-8-11(13)14-12(15(19)20)10-18(17-14)16(2,3)4/h6-10H,5H2,1-4H3,(H,19,20)