(E)-2-cyano-3-(3-fluoranylpyridin-4-yl)prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-(3-fluoranylpyridin-4-yl)prop-2-enoic acid Openeye Name: (E)-2-cyano-3-(3-fluoro-4-pyridyl)prop-2-enoic acid CAS Name: (E)-2-cyano-3-(3-fluoro-4-pyridinyl)-2-propenoic acid IUPAC Name: (E)-2-cyano-3-(3-fluoropyridin-4-yl)prop-2-enoic acid Traditional Name: (E)-2-cyano-3-(3-fluoro-4-pyridyl)acrylic acid Formula: C9H5FN2O2 MolecularWeight: 192.146603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC(=C1C=C(C#N)C(=O)O)F

Isomeric SMILES

C1=CN=CC(=C1/C=C(\C#N)/C(=O)O)F

InChI

InChI=1S/C9H5FN2O2/c10-8-5-12-2-1-6(8)3-7(4-11)9(13)14/h1-3,5H,(H,13,14)/b7-3+