5-(4-ethylphenyl)-1-methyl-pyrazole-3-carboxylate

Systemtic Name: 5-(4-ethylphenyl)-1-methyl-pyrazole-3-carboxylate Openeye Name: 5-(4-ethylphenyl)-1-methyl-pyrazole-3-carboxylate CAS Name: 5-(4-ethylphenyl)-1-methyl-3-pyrazolecarboxylate IUPAC Name: 5-(4-ethylphenyl)-1-methylpyrazole-3-carboxylate Traditional Name: 5-(4-ethylphenyl)-1-methyl-pyrazole-3-carboxylate Formula: C13H13N2O2- MolecularWeight: 229.25452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=NN2C)C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=NN2C)C(=O)[O-]

InChI

InChI=1S/C13H14N2O2/c1-3-9-4-6-10(7-5-9)12-8-11(13(16)17)14-15(12)2/h4-8H,3H2,1-2H3,(H,16,17)/p-1