(4-nitrophenyl)methyl 4-[[2,6-bis(bromanyl)-4-methyl-phenoxy]methyl]benzoate

Systemtic Name: (4-nitrophenyl)methyl 4-[[2,6-bis(bromanyl)-4-methyl-phenoxy]methyl]benzoate Openeye Name: (4-nitrophenyl)methyl 4-[(2,6-dibromo-4-methyl-phenoxy)methyl]benzoate CAS Name: 4-[(2,6-dibromo-4-methylphenoxy)methyl]benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[(2,6-dibromo-4-methylphenoxy)methyl]benzoate Traditional Name: 4-[(2,6-dibromo-4-methyl-phenoxy)methyl]benzoic acid (4-nitrobenzyl) ester Formula: C22H17Br2NO5 MolecularWeight: 535.18208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C22H17Br2NO5/c1-14-10-19(23)21(20(24)11-14)29-12-15-2-6-17(7-3-15)22(26)30-13-16-4-8-18(9-5-16)25(27)28/h2-11H,12-13H2,1H3