3-ethyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: 3-ethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: 1-benzyl-3-ethyl-pyrazole-4-carboxylate CAS Name: 3-ethyl-1-(phenylmethyl)-4-pyrazolecarboxylate IUPAC Name: 1-benzyl-3-ethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-ethyl-pyrazole-4-carboxylate Formula: C13H13N2O2- MolecularWeight: 229.25452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C=C1C(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CCC1=NN(C=C1C(=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C13H14N2O2/c1-2-12-11(13(16)17)9-15(14-12)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,17)/p-1