(3-fluoranyl-4-methoxy-phenyl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C18H19FN2O6 MolecularWeight: 378.351663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC(=C(C=C2)OC)F

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C18H19FN2O6/c1-25-8-7-20-16-5-4-13(21(23)24)10-14(16)18(22)27-11-12-3-6-17(26-2)15(19)9-12/h3-6,9-10,20H,7-8,11H2,1-2H3