[4-[(E)-2-(2-acetamidopyridin-4-yl)ethenyl]phenyl] 3-bromanylbenzoate

Systemtic Name: [4-[(E)-2-(2-acetamidopyridin-4-yl)ethenyl]phenyl] 3-bromanylbenzoate Openeye Name: [4-[(E)-2-(2-acetamido-4-pyridyl)vinyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(E)-2-(2-acetamido-4-pyridinyl)ethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-(2-acetamidopyridin-4-yl)ethenyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(E)-2-(2-acetamido-4-pyridyl)vinyl]phenyl] ester Formula: C22H17BrN2O3 MolecularWeight: 437.28598

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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=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrN2O3/c1-15(26)25-21-13-17(11-12-24-21)6-5-16-7-9-20(10-8-16)28-22(27)18-3-2-4-19(23)14-18/h2-14H,1H3,(H,24,25,26)/b6-5+