5-(4-butoxyphenyl)-1H-pyrazole-4-carboxylic acid

Systemtic Name: 5-(4-butoxyphenyl)-1H-pyrazole-4-carboxylic acid Openeye Name: 5-(4-butoxyphenyl)-1H-pyrazole-4-carboxylic acid CAS Name: 5-(4-butoxyphenyl)-1H-pyrazole-4-carboxylic acid IUPAC Name: 5-(4-butoxyphenyl)-1H-pyrazole-4-carboxylic acid Traditional Name: 5-(4-butoxyphenyl)-1H-pyrazole-4-carboxylic acid Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C(C=NN2)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C(C=NN2)C(=O)O

InChI

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