O1-butyl O3-propyl 2-(3-fluoranyl-4-nitro-phenyl)-2-methyl-propanedioate

Systemtic Name: O1-butyl O3-propyl 2-(3-fluoranyl-4-nitro-phenyl)-2-methyl-propanedioate Openeye Name: O1-butyl O3-propyl 2-(3-fluoro-4-nitro-phenyl)-2-methyl-propanedioate CAS Name: 2-(3-fluoro-4-nitrophenyl)-2-methylpropanedioic acid O1-butyl ester O3-propyl ester IUPAC Name: 1-O-butyl 3-O-propyl 2-(3-fluoro-4-nitrophenyl)-2-methylpropanedioate Traditional Name: 2-(3-fluoro-4-nitro-phenyl)-2-methyl-malonic acid O1-butyl ester O3-propyl ester Formula: C17H22FNO6 MolecularWeight: 355.358083

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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)OCCC

Isomeric SMILES

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

InChI

InChI=1S/C17H22FNO6/c1-4-6-10-25-16(21)17(3,15(20)24-9-5-2)12-7-8-14(19(22)23)13(18)11-12/h7-8,11H,4-6,9-10H2,1-3H3