(4-nitrophenyl) 2-(4-octoxyphenoxy)ethanoate

Systemtic Name: (4-nitrophenyl) 2-(4-octoxyphenoxy)ethanoate Openeye Name: (4-nitrophenyl) 2-(4-octoxyphenoxy)acetate CAS Name: 2-(4-octoxyphenoxy)acetic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-(4-octoxyphenoxy)acetate Traditional Name: 2-(4-octoxyphenoxy)acetic acid (4-nitrophenyl) ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)OCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H27NO6/c1-2-3-4-5-6-7-16-27-19-12-14-20(15-13-19)28-17-22(24)29-21-10-8-18(9-11-21)23(25)26/h8-15H,2-7,16-17H2,1H3