(5-cyano-2-fluoranyl-phenyl)methyl 2-(diethylamino)-5-nitro-benzoate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 2-(diethylamino)-5-nitro-benzoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 2-(diethylamino)-5-nitro-benzoate CAS Name: 2-(diethylamino)-5-nitrobenzoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 2-(diethylamino)-5-nitrobenzoate Traditional Name: 2-(diethylamino)-5-nitro-benzoic acid (5-cyano-2-fluoro-benzyl) ester Formula: C19H18FN3O4 MolecularWeight: 371.362323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN3O4/c1-3-22(4-2)18-8-6-15(23(25)26)10-16(18)19(24)27-12-14-9-13(11-21)5-7-17(14)20/h5-10H,3-4,12H2,1-2H3