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

Systemtic Name: 5-fluoranyl-2-[[(E)-3-pyridin-3-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 5-fluoro-2-[[(E)-3-(3-pyridyl)but-2-enoyl]amino]benzoic acid CAS Name: 5-fluoro-2-[[(E)-1-oxo-3-(3-pyridinyl)but-2-enyl]amino]benzoic acid IUPAC Name: 5-fluoro-2-[[(E)-3-pyridin-3-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 5-fluoro-2-[[(E)-3-(3-pyridyl)but-2-enoyl]amino]benzoic acid Formula: C16H13FN2O3 MolecularWeight: 300.284423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=C(C=C1)F)C(=O)O)C2=CN=CC=C2

Isomeric SMILES

C/C(=C\C(=O)NC1=C(C=C(C=C1)F)C(=O)O)/C2=CN=CC=C2

InChI

InChI=1S/C16H13FN2O3/c1-10(11-3-2-6-18-9-11)7-15(20)19-14-5-4-12(17)8-13(14)16(21)22/h2-9H,1H3,(H,19,20)(H,21,22)/b10-7+