methyl 4-fluoranyl-5-methylsulfonyl-2-nitro-benzoate

Systemtic Name: methyl 4-fluoranyl-5-methylsulfonyl-2-nitro-benzoate Openeye Name: methyl 4-fluoro-5-methylsulfonyl-2-nitro-benzoate CAS Name: 4-fluoro-5-methylsulfonyl-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-fluoro-5-methylsulfonyl-2-nitrobenzoate Traditional Name: 4-fluoro-5-mesyl-2-nitro-benzoic acid methyl ester Formula: C9H8FNO6S MolecularWeight: 277.226323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8FNO6S/c1-17-9(12)5-3-8(18(2,15)16)6(10)4-7(5)11(13)14/h3-4H,1-2H3