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

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (5-bromo-2-methoxy-benzyl) ester Formula: C19H19BrN2O6 MolecularWeight: 451.26796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C19H19BrN2O6/c1-26-18-5-2-14(20)10-13(18)12-28-19(23)16-11-15(22(24)25)3-4-17(16)21-6-8-27-9-7-21/h2-5,10-11H,6-9,12H2,1H3