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

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (4-bromo-2-fluoro-benzyl) ester Formula: C18H16BrFN2O5 MolecularWeight: 439.232443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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