3-(3-tert-butyl-4-ethoxy-phenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(3-tert-butyl-4-ethoxy-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(3-tert-butyl-4-ethoxy-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(3-tert-butyl-4-ethoxyphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(3-tert-butyl-4-ethoxyphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(3-tert-butyl-4-ethoxy-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)O)C(C)(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)O)C(C)(C)C

InChI

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