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

Systemtic Name: (5-fluoranyl-2-methoxy-phenyl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: (5-fluoro-2-methoxy-phenyl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid (5-fluoro-2-methoxyphenyl)methyl ester IUPAC Name: (5-fluoro-2-methoxyphenyl)methyl 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid (5-fluoro-2-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)C(=O)OCC2=C(C=CC(=C2)F)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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