dibutyl 2-(3-fluoranyl-4-nitro-phenyl)-2-methyl-propanedioate

Systemtic Name: dibutyl 2-(3-fluoranyl-4-nitro-phenyl)-2-methyl-propanedioate Openeye Name: dibutyl 2-(3-fluoro-4-nitro-phenyl)-2-methyl-propanedioate CAS Name: 2-(3-fluoro-4-nitrophenyl)-2-methylpropanedioic acid dibutyl ester IUPAC Name: dibutyl 2-(3-fluoro-4-nitrophenyl)-2-methylpropanedioate Traditional Name: 2-(3-fluoro-4-nitro-phenyl)-2-methyl-malonic acid dibutyl ester Formula: C18H24FNO6 MolecularWeight: 369.384663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)(C1=CC(=C(C=C1)[N+](=O)[O-])F)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)C(C)(C1=CC(=C(C=C1)[N+](=O)[O-])F)C(=O)OCCCC

InChI

InChI=1S/C18H24FNO6/c1-4-6-10-25-16(21)18(3,17(22)26-11-7-5-2)13-8-9-15(20(23)24)14(19)12-13/h8-9,12H,4-7,10-11H2,1-3H3