bis(3-methylbutyl) 2-(3-fluoranyl-4-nitro-phenyl)-2-methyl-propanedioate

Systemtic Name: bis(3-methylbutyl) 2-(3-fluoranyl-4-nitro-phenyl)-2-methyl-propanedioate Openeye Name: diisopentyl 2-(3-fluoro-4-nitro-phenyl)-2-methyl-propanedioate CAS Name: 2-(3-fluoro-4-nitrophenyl)-2-methylpropanedioic acid bis(3-methylbutyl) ester IUPAC Name: bis(3-methylbutyl) 2-(3-fluoro-4-nitrophenyl)-2-methylpropanedioate Traditional Name: 2-(3-fluoro-4-nitro-phenyl)-2-methyl-malonic acid diisoamyl ester Formula: C20H28FNO6 MolecularWeight: 397.437823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C(C)(C1=CC(=C(C=C1)[N+](=O)[O-])F)C(=O)OCCC(C)C

Isomeric SMILES

CC(C)CCOC(=O)C(C)(C1=CC(=C(C=C1)[N+](=O)[O-])F)C(=O)OCCC(C)C

InChI

InChI=1S/C20H28FNO6/c1-13(2)8-10-27-18(23)20(5,19(24)28-11-9-14(3)4)15-6-7-17(22(25)26)16(21)12-15/h6-7,12-14H,8-11H2,1-5H3