(3,5,5-trimethyl-4H-pyrazol-3-yl) 4-fluoranylbenzoate

Systemtic Name: (3,5,5-trimethyl-4H-pyrazol-3-yl) 4-fluoranylbenzoate Openeye Name: (3,5,5-trimethyl-4H-pyrazol-3-yl) 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid (3,5,5-trimethyl-4H-pyrazol-3-yl) ester IUPAC Name: (3,5,5-trimethyl-4H-pyrazol-3-yl) 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid (3,5,5-trimethyl-1-pyrazolin-3-yl) ester Formula: C13H15FN2O2 MolecularWeight: 250.268803

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(N=N1)(C)OC(=O)C2=CC=C(C=C2)F)C

Isomeric SMILES

CC1(CC(N=N1)(C)OC(=O)C2=CC=C(C=C2)F)C

InChI

InChI=1S/C13H15FN2O2/c1-12(2)8-13(3,16-15-12)18-11(17)9-4-6-10(14)7-5-9/h4-7H,8H2,1-3H3