3-nitrooxypropyl (2S)-2-oxidanyl-2-[3-(phenylcarbonyl)phenyl]ethanoate

Systemtic Name: 3-nitrooxypropyl (2S)-2-oxidanyl-2-[3-(phenylcarbonyl)phenyl]ethanoate Openeye Name: 3-nitrooxypropyl (2S)-2-(3-benzoylphenyl)-2-hydroxy-acetate CAS Name: (2S)-2-(3-benzoylphenyl)-2-hydroxyacetic acid 3-nitrooxypropyl ester IUPAC Name: 3-nitrooxypropyl (2S)-2-(3-benzoylphenyl)-2-hydroxyacetate Traditional Name: (2S)-2-(3-benzoylphenyl)-2-hydroxy-acetic acid 3-nitrooxypropyl ester Formula: C18H17NO7 MolecularWeight: 359.33008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO7/c20-16(13-6-2-1-3-7-13)14-8-4-9-15(12-14)17(21)18(22)25-10-5-11-26-19(23)24/h1-4,6-9,12,17,21H,5,10-11H2/t17-/m0/s1