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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(C)(C1=CC(=C(C=C1)[N+](=O)[O-])F)C(=O)OCCCCC

Isomeric SMILES

CCCCCOC(=O)C(C)(C1=CC(=C(C=C1)[N+](=O)[O-])F)C(=O)OCCCCC

InChI

InChI=1S/C20H28FNO6/c1-4-6-8-12-27-18(23)20(3,19(24)28-13-9-7-5-2)15-10-11-17(22(25)26)16(21)14-15/h10-11,14H,4-9,12-13H2,1-3H3