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

Systemtic Name: [4-[(E)-2-(2-acetamidopyridin-4-yl)ethenyl]phenyl] 2-bromanylbenzoate Openeye Name: [4-[(E)-2-(2-acetamido-4-pyridyl)vinyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-[(E)-2-(2-acetamido-4-pyridinyl)ethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-(2-acetamidopyridin-4-yl)ethenyl]phenyl] 2-bromobenzoate Traditional Name: 2-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=C3Br

Isomeric SMILES

CC(=O)NC1=NC=CC(=C1)/C=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C22H17BrN2O3/c1-15(26)25-21-14-17(12-13-24-21)7-6-16-8-10-18(11-9-16)28-22(27)19-4-2-3-5-20(19)23/h2-14H,1H3,(H,24,25,26)/b7-6+