5-fluoranyl-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]benzoic acid

Systemtic Name: 5-fluoranyl-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]benzoic acid Openeye Name: 5-fluoro-2-[[(E)-3-(3-pyridyl)prop-2-enoyl]amino]benzoic acid CAS Name: 5-fluoro-2-[[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 5-fluoro-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]benzoic acid Traditional Name: 5-fluoro-2-[[(E)-3-(3-pyridyl)acryloyl]amino]benzoic acid Formula: C15H11FN2O3 MolecularWeight: 286.257843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C=CC(=O)NC2=C(C=C(C=C2)F)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)/C=C/C(=O)NC2=C(C=C(C=C2)F)C(=O)O

InChI

InChI=1S/C15H11FN2O3/c16-11-4-5-13(12(8-11)15(20)21)18-14(19)6-3-10-2-1-7-17-9-10/h1-9H,(H,18,19)(H,20,21)/b6-3+