O1-hexyl O3-pentyl 2-(3-fluoranyl-4-nitro-phenyl)-2-methyl-propanedioate

Systemtic Name: O1-hexyl O3-pentyl 2-(3-fluoranyl-4-nitro-phenyl)-2-methyl-propanedioate Openeye Name: O1-hexyl O3-pentyl 2-(3-fluoro-4-nitro-phenyl)-2-methyl-propanedioate CAS Name: 2-(3-fluoro-4-nitrophenyl)-2-methylpropanedioic acid O1-hexyl ester O3-pentyl ester IUPAC Name: 1-O-hexyl 3-O-pentyl 2-(3-fluoro-4-nitrophenyl)-2-methylpropanedioate Traditional Name: 2-(3-fluoro-4-nitro-phenyl)-2-methyl-malonic acid O1-amyl ester O3-hexyl ester Formula: C21H30FNO6 MolecularWeight: 411.464403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30FNO6/c1-4-6-8-10-14-29-20(25)21(3,19(24)28-13-9-7-5-2)16-11-12-18(23(26)27)17(22)15-16/h11-12,15H,4-10,13-14H2,1-3H3