(2-hexanoyloxyphenyl) 4-nitrobenzoate

Systemtic Name: (2-hexanoyloxyphenyl) 4-nitrobenzoate Openeye Name: (2-hexanoyloxyphenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(1-oxohexoxy)phenyl] ester IUPAC Name: (2-hexanoyloxyphenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-caproyloxyphenyl) ester Formula: C19H19NO6 MolecularWeight: 357.35726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(=O)OC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19NO6/c1-2-3-4-9-18(21)25-16-7-5-6-8-17(16)26-19(22)14-10-12-15(13-11-14)20(23)24/h5-8,10-13H,2-4,9H2,1H3