[4-[(E)-2-(2-acetamidopyridin-4-yl)ethenyl]phenyl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [4-[(E)-2-(2-acetamidopyridin-4-yl)ethenyl]phenyl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [4-[(E)-2-(2-acetamido-4-pyridyl)vinyl]phenyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [4-[(E)-2-(2-acetamido-4-pyridinyl)ethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-(2-acetamidopyridin-4-yl)ethenyl]phenyl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [4-[(E)-2-(2-acetamido-4-pyridyl)vinyl]phenyl] ester Formula: C22H16ClFN2O3 MolecularWeight: 410.825443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=CC(=C1)C=CC2=CC=C(C=C2)OC(=O)C3=C(C=CC=C3Cl)F

Isomeric SMILES

CC(=O)NC1=NC=CC(=C1)/C=C/C2=CC=C(C=C2)OC(=O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H16ClFN2O3/c1-14(27)26-20-13-16(11-12-25-20)6-5-15-7-9-17(10-8-15)29-22(28)21-18(23)3-2-4-19(21)24/h2-13H,1H3,(H,25,26,27)/b6-5+