5-butoxy-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-butoxy-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-butoxy-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-butoxy-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-butoxy-1-phenylpyrazole-4-carboxylic acid Traditional Name: 5-butoxy-1-phenyl-pyrazole-4-carboxylic acid Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=NN1C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCOC1=C(C=NN1C2=CC=CC=C2)C(=O)O

InChI

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