(5-cyano-2-fluoranyl-phenyl)methyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (5-cyano-2-fluoro-benzyl) ester Formula: C16H11FN2O6S MolecularWeight: 378.331743

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=C(C=CC(=C2)C#N)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=C(C=CC(=C2)C#N)F)[N+](=O)[O-]

InChI

InChI=1S/C16H11FN2O6S/c1-26(23,24)15-5-3-11(7-14(15)19(21)22)16(20)25-9-12-6-10(8-18)2-4-13(12)17/h2-7H,9H2,1H3