[4-[5-chloranyl-6-(trifluoromethyl)pyrimidin-4-yl]-3-fluoranyl-phenyl] 2-nitrobutaneperoxoate

Systemtic Name: [4-[5-chloranyl-6-(trifluoromethyl)pyrimidin-4-yl]-3-fluoranyl-phenyl] 2-nitrobutaneperoxoate Openeye Name: [4-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-3-fluoro-phenyl] 2-nitrobutaneperoxoate CAS Name: 2-nitrobutaneperoxoic acid [4-[5-chloro-6-(trifluoromethyl)-4-pyrimidinyl]-3-fluorophenyl] ester IUPAC Name: [4-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-3-fluorophenyl] 2-nitrobutaneperoxoate Traditional Name: 2-nitroperoxybutyric acid [4-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-3-fluoro-phenyl] ester Formula: C15H10ClF4N3O5 MolecularWeight: 423.703613

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OOC1=CC(=C(C=C1)C2=C(C(=NC=N2)C(F)(F)F)Cl)F)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)OOC1=CC(=C(C=C1)C2=C(C(=NC=N2)C(F)(F)F)Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C15H10ClF4N3O5/c1-2-10(23(25)26)14(24)28-27-7-3-4-8(9(17)5-7)12-11(16)13(15(18,19)20)22-6-21-12/h3-6,10H,2H2,1H3