3-nitrooxypropyl 2-(3-fluoranyl-4-phenyl-phenyl)propanoate

Systemtic Name: 3-nitrooxypropyl 2-(3-fluoranyl-4-phenyl-phenyl)propanoate Openeye Name: 3-nitrooxypropyl 2-(3-fluoro-4-phenyl-phenyl)propanoate CAS Name: 2-(3-fluoro-4-phenylphenyl)propanoic acid 3-nitrooxypropyl ester IUPAC Name: 3-nitrooxypropyl 2-(3-fluoro-4-phenylphenyl)propanoate Traditional Name: 2-(3-fluoro-4-phenyl-phenyl)propionic acid 3-nitrooxypropyl ester Formula: C18H18FNO5 MolecularWeight: 347.337623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FNO5/c1-13(18(21)24-10-5-11-25-20(22)23)15-8-9-16(17(19)12-15)14-6-3-2-4-7-14/h2-4,6-9,12-13H,5,10-11H2,1H3