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

Systemtic Name: [4-bromanyl-2-[1-(2-ethylphenyl)pyrazol-4-yl]carbonyl-phenyl] ethaneperoxoate Openeye Name: [4-bromo-2-[1-(2-ethylphenyl)pyrazole-4-carbonyl]phenyl] peroxyacetate CAS Name: ethaneperoxoic acid [4-bromo-2-[[1-(2-ethylphenyl)-4-pyrazolyl]-oxomethyl]phenyl] ester IUPAC Name: [4-bromo-2-[1-(2-ethylphenyl)pyrazole-4-carbonyl]phenyl] ethaneperoxoate Traditional Name: peracetic acid [4-bromo-2-[1-(2-ethylphenyl)pyrazole-4-carbonyl]phenyl] ester Formula: C20H17BrN2O4 MolecularWeight: 429.26398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)Br)OOC(=O)C

Isomeric SMILES

CCC1=CC=CC=C1N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)Br)OOC(=O)C

InChI

InChI=1S/C20H17BrN2O4/c1-3-14-6-4-5-7-18(14)23-12-15(11-22-23)20(25)17-10-16(21)8-9-19(17)27-26-13(2)24/h4-12H,3H2,1-2H3