(E)-3-[2-(3,5-dimethylpyrazol-1-yl)-5-fluoranyl-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(3,5-dimethylpyrazol-1-yl)-5-fluoranyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(3,5-dimethyl-1-pyrazolyl)-5-fluorophenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-phenyl]acrylic acid Formula: C14H13FN2O2 MolecularWeight: 260.263623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=C(C=C2)F)C=CC(=O)O)C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=C(C=C2)F)/C=C/C(=O)O)C

InChI

InChI=1S/C14H13FN2O2/c1-9-7-10(2)17(16-9)13-5-4-12(15)8-11(13)3-6-14(18)19/h3-8H,1-2H3,(H,18,19)/b6-3+