[4-bromanyl-2-(1-pyridin-2-ylpyrazol-4-yl)carbonyl-phenyl] ethaneperoxoate

Systemtic Name: [4-bromanyl-2-(1-pyridin-2-ylpyrazol-4-yl)carbonyl-phenyl] ethaneperoxoate Openeye Name: [4-bromo-2-[1-(2-pyridyl)pyrazole-4-carbonyl]phenyl] peroxyacetate CAS Name: ethaneperoxoic acid [4-bromo-2-[oxo-[1-(2-pyridinyl)-4-pyrazolyl]methyl]phenyl] ester IUPAC Name: [4-bromo-2-(1-pyridin-2-ylpyrazole-4-carbonyl)phenyl] ethaneperoxoate Traditional Name: peracetic acid [4-bromo-2-[1-(2-pyridyl)pyrazole-4-carbonyl]phenyl] ester Formula: C17H12BrN3O4 MolecularWeight: 402.19888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OOC1=C(C=C(C=C1)Br)C(=O)C2=CN(N=C2)C3=CC=CC=N3

Isomeric SMILES

CC(=O)OOC1=C(C=C(C=C1)Br)C(=O)C2=CN(N=C2)C3=CC=CC=N3

InChI

InChI=1S/C17H12BrN3O4/c1-11(22)24-25-15-6-5-13(18)8-14(15)17(23)12-9-20-21(10-12)16-4-2-3-7-19-16/h2-10H,1H3