(4-bromanyl-2-fluoranyl-phenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid (4-bromo-2-fluoro-benzyl) ester Formula: C16H14BrFN2O5 MolecularWeight: 413.195163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)OCC2=C(C=C(C=C2)Br)F)NCCO

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)OCC2=C(C=C(C=C2)Br)F)NCCO

InChI

InChI=1S/C16H14BrFN2O5/c17-11-2-1-10(14(18)7-11)9-25-16(22)13-8-12(20(23)24)3-4-15(13)19-5-6-21/h1-4,7-8,19,21H,5-6,9H2