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

Systemtic Name: bis(3,3-dimethylbutyl) 2-(3-fluoranyl-4-nitro-phenyl)-2-methyl-propanedioate Openeye Name: bis(3,3-dimethylbutyl) 2-(3-fluoro-4-nitro-phenyl)-2-methyl-propanedioate CAS Name: 2-(3-fluoro-4-nitrophenyl)-2-methylpropanedioic acid bis(3,3-dimethylbutyl) ester IUPAC Name: bis(3,3-dimethylbutyl) 2-(3-fluoro-4-nitrophenyl)-2-methylpropanedioate Traditional Name: 2-(3-fluoro-4-nitro-phenyl)-2-methyl-malonic acid bis(3,3-dimethylbutyl) ester Formula: C22H32FNO6 MolecularWeight: 425.490983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32FNO6/c1-20(2,3)10-12-29-18(25)22(7,19(26)30-13-11-21(4,5)6)15-8-9-17(24(27)28)16(23)14-15/h8-9,14H,10-13H2,1-7H3