(E)-3-(3-fluoranyl-4-pyrazol-1-yl-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(3-fluoranyl-4-pyrazol-1-yl-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(3-fluoro-4-pyrazol-1-yl-phenyl)prop-2-enoic acid CAS Name: (E)-3-[3-fluoro-4-(1-pyrazolyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-(3-fluoro-4-pyrazol-1-ylphenyl)prop-2-enoic acid Traditional Name: (E)-3-(3-fluoro-4-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)C=CC(=O)O)F

Isomeric SMILES

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

InChI

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