(E)-3-(5-fluoranyl-2-pyrazol-1-yl-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(5-fluoranyl-2-pyrazol-1-yl-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(5-fluoro-2-pyrazol-1-yl-phenyl)prop-2-enoic acid CAS Name: (E)-3-[5-fluoro-2-(1-pyrazolyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-(5-fluoro-2-pyrazol-1-ylphenyl)prop-2-enoic acid Traditional Name: (E)-3-(5-fluoro-2-pyrazol-1-yl-phenyl)acrylic acid Formula: C12H9FN2O2 MolecularWeight: 232.210463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=C(C=C(C=C2)F)C=CC(=O)O

Isomeric SMILES

C1=CN(N=C1)C2=C(C=C(C=C2)F)/C=C/C(=O)O

InChI

InChI=1S/C12H9FN2O2/c13-10-3-4-11(15-7-1-6-14-15)9(8-10)2-5-12(16)17/h1-8H,(H,16,17)/b5-2+