3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: 3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylate Openeye Name: 3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylate IUPAC Name: 3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylate Formula: C14H15N2O3- MolecularWeight: 259.2805

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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)/p-1