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

Systemtic Name: 3-(2-propoxyphenyl)-1H-pyrazole-5-carboxylate Openeye Name: 3-(2-propoxyphenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(2-propoxyphenyl)-1H-pyrazole-5-carboxylate IUPAC Name: 3-(2-propoxyphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(2-propoxyphenyl)-1H-pyrazole-5-carboxylate Formula: C13H13N2O3- MolecularWeight: 245.25392

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NNC(=C2)C(=O)[O-]

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NNC(=C2)C(=O)[O-]

InChI

InChI=1S/C13H14N2O3/c1-2-7-18-12-6-4-3-5-9(12)10-8-11(13(16)17)15-14-10/h3-6,8H,2,7H2,1H3,(H,14,15)(H,16,17)/p-1