3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid Formula: C14H16N2O3 MolecularWeight: 260.28844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2=NNC(=C2)C(=O)O

Isomeric SMILES

CCCCOC1=CC=CC=C1C2=NNC(=C2)C(=O)O

InChI

InChI=1S/C14H16N2O3/c1-2-3-8-19-13-7-5-4-6-10(13)11-9-12(14(17)18)16-15-11/h4-7,9H,2-3,8H2,1H3,(H,15,16)(H,17,18)