[2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] benzoate

Systemtic Name: [2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] benzoate Openeye Name: [2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] benzoate CAS Name: benzoic acid [2-(2,4-dimethylphenyl)-5-ethyl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-ethylpyrazol-3-yl] benzoate Traditional Name: benzoic acid [2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] ester Formula: C20H20N2O2 MolecularWeight: 320.385

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)OC(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCC1=NN(C(=C1)OC(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C20H20N2O2/c1-4-17-13-19(24-20(23)16-8-6-5-7-9-16)22(21-17)18-11-10-14(2)12-15(18)3/h5-13H,4H2,1-3H3