2-(2-nitrooxyethoxy)ethyl 2-[4-(phenylcarbonyl)phenyl]propanoate

Systemtic Name: 2-(2-nitrooxyethoxy)ethyl 2-[4-(phenylcarbonyl)phenyl]propanoate Openeye Name: 2-(2-nitrooxyethoxy)ethyl 2-(4-benzoylphenyl)propanoate CAS Name: 2-(4-benzoylphenyl)propanoic acid 2-(2-nitrooxyethoxy)ethyl ester IUPAC Name: 2-(2-nitrooxyethoxy)ethyl 2-(4-benzoylphenyl)propanoate Traditional Name: 2-(4-benzoylphenyl)propionic acid 2-(2-nitrooxyethoxy)ethyl ester Formula: C20H21NO7 MolecularWeight: 387.38324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)OCCOCCO[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)OCCOCCO[N+](=O)[O-]

InChI

InChI=1S/C20H21NO7/c1-15(20(23)27-13-11-26-12-14-28-21(24)25)16-7-9-18(10-8-16)19(22)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3