(5-cyano-2-fluoranyl-phenyl)methyl 4-(3-nitrophenyl)sulfonyloxybenzoate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 4-(3-nitrophenyl)sulfonyloxybenzoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 4-(3-nitrophenyl)sulfonyloxybenzoate CAS Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 4-(3-nitrophenyl)sulfonyloxybenzoate Traditional Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid (5-cyano-2-fluoro-benzyl) ester Formula: C21H13FN2O7S MolecularWeight: 456.400523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC3=C(C=CC(=C3)C#N)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC3=C(C=CC(=C3)C#N)F)[N+](=O)[O-]

InChI

InChI=1S/C21H13FN2O7S/c22-20-9-4-14(12-23)10-16(20)13-30-21(25)15-5-7-18(8-6-15)31-32(28,29)19-3-1-2-17(11-19)24(26)27/h1-11H,13H2