(4-cyano-2-fluoranyl-phenyl)methyl 5-methoxy-4-(2-methoxyethoxy)-2-nitro-benzoate

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl 5-methoxy-4-(2-methoxyethoxy)-2-nitro-benzoate Openeye Name: (4-cyano-2-fluoro-phenyl)methyl 5-methoxy-4-(2-methoxyethoxy)-2-nitro-benzoate CAS Name: 5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzoic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl 5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzoate Traditional Name: 5-methoxy-4-(2-methoxyethoxy)-2-nitro-benzoic acid (4-cyano-2-fluoro-benzyl) ester Formula: C19H17FN2O7 MolecularWeight: 404.345883

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=C(C=C(C=C2)C#N)F)OC

Isomeric SMILES

COCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=C(C=C(C=C2)C#N)F)OC

InChI

InChI=1S/C19H17FN2O7/c1-26-5-6-28-18-9-16(22(24)25)14(8-17(18)27-2)19(23)29-11-13-4-3-12(10-21)7-15(13)20/h3-4,7-9H,5-6,11H2,1-2H3