(2-bromanyl-4-fluoranyl-phenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (2-bromo-4-fluoro-phenyl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (2-bromo-4-fluorophenyl)methyl ester IUPAC Name: (2-bromo-4-fluorophenyl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (2-bromo-4-fluoro-benzyl) ester Formula: C18H16BrFN2O5 MolecularWeight: 439.232443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC3=C(C=C(C=C3)F)Br)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC3=C(C=C(C=C3)F)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H16BrFN2O5/c19-15-10-14(20)3-1-13(15)11-27-18(23)12-2-4-16(17(9-12)22(24)25)21-5-7-26-8-6-21/h1-4,9-10H,5-8,11H2