(4-bromophenyl)methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (4-bromophenyl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (4-bromophenyl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (4-bromobenzyl) ester Formula: C18H17BrN2O5 MolecularWeight: 421.24198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O5/c19-14-3-1-13(2-4-14)12-26-18(22)16-11-15(21(23)24)5-6-17(16)20-7-9-25-10-8-20/h1-6,11H,7-10,12H2