(2-bromanyl-4,5-diethoxy-phenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C22H25BrN2O7 MolecularWeight: 509.3471

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])Br)OCC

InChI

InChI=1S/C22H25BrN2O7/c1-3-30-20-12-16(17(23)13-21(20)31-4-2)14-32-22(26)15-5-6-18(19(11-15)25(27)28)24-7-9-29-10-8-24/h5-6,11-13H,3-4,7-10,14H2,1-2H3