methyl 2-(5-fluoranyl-2-nitro-phenyl)-4-methyl-3-oxidanylidene-pentanoate

Systemtic Name: methyl 2-(5-fluoranyl-2-nitro-phenyl)-4-methyl-3-oxidanylidene-pentanoate Openeye Name: methyl 2-(5-fluoro-2-nitro-phenyl)-4-methyl-3-oxo-pentanoate CAS Name: 2-(5-fluoro-2-nitrophenyl)-4-methyl-3-oxopentanoic acid methyl ester IUPAC Name: methyl 2-(5-fluoro-2-nitrophenyl)-4-methyl-3-oxopentanoate Traditional Name: 2-(5-fluoro-2-nitro-phenyl)-3-keto-4-methyl-valeric acid methyl ester Formula: C13H14FNO5 MolecularWeight: 283.252363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14FNO5/c1-7(2)12(16)11(13(17)20-3)9-6-8(14)4-5-10(9)15(18)19/h4-7,11H,1-3H3