3-phenylpropyl 4-[2-(4-nitrophenoxy)propanoyloxy]benzoate

Systemtic Name: 3-phenylpropyl 4-[2-(4-nitrophenoxy)propanoyloxy]benzoate Openeye Name: 3-phenylpropyl 4-[2-(4-nitrophenoxy)propanoyloxy]benzoate CAS Name: 4-[2-(4-nitrophenoxy)-1-oxopropoxy]benzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[2-(4-nitrophenoxy)propanoyloxy]benzoate Traditional Name: 4-[2-(4-nitrophenoxy)propanoyloxy]benzoic acid 3-phenylpropyl ester Formula: C25H23NO7 MolecularWeight: 449.45262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=C(C=C1)C(=O)OCCCC2=CC=CC=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OC1=CC=C(C=C1)C(=O)OCCCC2=CC=CC=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H23NO7/c1-18(32-22-15-11-21(12-16-22)26(29)30)24(27)33-23-13-9-20(10-14-23)25(28)31-17-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-16,18H,5,8,17H2,1H3