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

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (5-cyano-2-fluoro-benzyl) ester Formula: C17H14FN3O4 MolecularWeight: 343.309163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14FN3O4/c1-20(2)15-6-4-12(8-16(15)21(23)24)17(22)25-10-13-7-11(9-19)3-5-14(13)18/h3-8H,10H2,1-2H3