(4-bromophenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (4-bromophenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (4-bromophenyl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-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)C(=O)OCC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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