3-methylbut-3-enoyl 2-chloranyl-4-fluoranyl-5-nitro-benzenecarboperoxoate

Systemtic Name: 3-methylbut-3-enoyl 2-chloranyl-4-fluoranyl-5-nitro-benzenecarboperoxoate Openeye Name: 3-methylbut-3-enoyl 2-chloro-4-fluoro-5-nitro-benzenecarboperoxoate CAS Name: 2-chloro-4-fluoro-5-nitrobenzenecarboperoxoic acid (3-methyl-1-oxobut-3-enyl) ester IUPAC Name: 3-methylbut-3-enoyl 2-chloro-4-fluoro-5-nitrobenzenecarboperoxoate Traditional Name: 2-chloro-4-fluoro-5-nitro-benzenecarboperoxoic acid 3-methylbut-3-enoyl ester Formula: C12H9ClFNO6 MolecularWeight: 317.654363

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC(=O)OOC(=O)C1=CC(=C(C=C1Cl)F)[N+](=O)[O-]

Isomeric SMILES

CC(=C)CC(=O)OOC(=O)C1=CC(=C(C=C1Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C12H9ClFNO6/c1-6(2)3-11(16)20-21-12(17)7-4-10(15(18)19)9(14)5-8(7)13/h4-5H,1,3H2,2H3