3-nitrooxypropyl (2S)-2-[3-(phenylcarbonyl)phenyl]propanoate

Systemtic Name: 3-nitrooxypropyl (2S)-2-[3-(phenylcarbonyl)phenyl]propanoate Openeye Name: 3-nitrooxypropyl (2S)-2-(3-benzoylphenyl)propanoate CAS Name: (2S)-2-(3-benzoylphenyl)propanoic acid 3-nitrooxypropyl ester IUPAC Name: 3-nitrooxypropyl (2S)-2-(3-benzoylphenyl)propanoate Traditional Name: (2S)-2-(3-benzoylphenyl)propionic acid 3-nitrooxypropyl ester Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO6/c1-14(19(22)25-11-6-12-26-20(23)24)16-9-5-10-17(13-16)18(21)15-7-3-2-4-8-15/h2-5,7-10,13-14H,6,11-12H2,1H3/t14-/m0/s1