(4-nitrophenyl) 3-bromanyl-4-hexoxy-benzoate

Systemtic Name: (4-nitrophenyl) 3-bromanyl-4-hexoxy-benzoate Openeye Name: (4-nitrophenyl) 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid (4-nitrophenyl) ester Formula: C19H20BrNO5 MolecularWeight: 422.2698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C19H20BrNO5/c1-2-3-4-5-12-25-18-11-6-14(13-17(18)20)19(22)26-16-9-7-15(8-10-16)21(23)24/h6-11,13H,2-5,12H2,1H3