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

Systemtic Name: [4-bromanyl-2-(1-phenylpyrazol-4-yl)carbonyl-phenyl] ethaneperoxoate Openeye Name: [4-bromo-2-(1-phenylpyrazole-4-carbonyl)phenyl] peroxyacetate CAS Name: ethaneperoxoic acid [4-bromo-2-[oxo-(1-phenyl-4-pyrazolyl)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(1-phenylpyrazole-4-carbonyl)phenyl] ethaneperoxoate Traditional Name: peracetic acid [4-bromo-2-(1-phenylpyrazole-4-carbonyl)phenyl] ester Formula: C18H13BrN2O4 MolecularWeight: 401.21082

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN2O4/c1-12(22)24-25-17-8-7-14(19)9-16(17)18(23)13-10-20-21(11-13)15-5-3-2-4-6-15/h2-11H,1H3