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

Systemtic Name: O1-ethyl O3-methyl 2-(3-fluoranyl-4-nitro-phenyl)-2-methyl-propanedioate Openeye Name: O1-ethyl O3-methyl 2-(3-fluoro-4-nitro-phenyl)-2-methyl-propanedioate CAS Name: 2-(3-fluoro-4-nitrophenyl)-2-methylpropanedioic acid O1-ethyl ester O3-methyl ester IUPAC Name: 1-O-ethyl 3-O-methyl 2-(3-fluoro-4-nitrophenyl)-2-methylpropanedioate Traditional Name: 2-(3-fluoro-4-nitro-phenyl)-2-methyl-malonic acid O1-ethyl ester O3-methyl ester Formula: C13H14FNO6 MolecularWeight: 299.251763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14FNO6/c1-4-21-12(17)13(2,11(16)20-3)8-5-6-10(15(18)19)9(14)7-8/h5-7H,4H2,1-3H3