2-(2-nitro-4-phenyl-phenoxy)ethyl 6,6-bis(fluoranyl)-5-methyl-hex-5-enoate

Systemtic Name: 2-(2-nitro-4-phenyl-phenoxy)ethyl 6,6-bis(fluoranyl)-5-methyl-hex-5-enoate Openeye Name: 2-(2-nitro-4-phenyl-phenoxy)ethyl 6,6-difluoro-5-methyl-hex-5-enoate CAS Name: 6,6-difluoro-5-methyl-5-hexenoic acid 2-(2-nitro-4-phenylphenoxy)ethyl ester IUPAC Name: 2-(2-nitro-4-phenylphenoxy)ethyl 6,6-difluoro-5-methylhex-5-enoate Traditional Name: 6,6-difluoro-5-methyl-hex-5-enoic acid 2-(2-nitro-4-phenyl-phenoxy)ethyl ester Formula: C21H21F2NO5 MolecularWeight: 405.391946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(F)F)CCCC(=O)OCCOC1=C(C=C(C=C1)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=C(F)F)CCCC(=O)OCCOC1=C(C=C(C=C1)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H21F2NO5/c1-15(21(22)23)6-5-9-20(25)29-13-12-28-19-11-10-17(14-18(19)24(26)27)16-7-3-2-4-8-16/h2-4,7-8,10-11,14H,5-6,9,12-13H2,1H3