ethyl (2S)-3-nitro-2-oxidanyl-2-phenyl-propanoate

Systemtic Name: ethyl (2S)-3-nitro-2-oxidanyl-2-phenyl-propanoate Openeye Name: ethyl (2S)-2-hydroxy-3-nitro-2-phenyl-propanoate CAS Name: (2S)-2-hydroxy-3-nitro-2-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-hydroxy-3-nitro-2-phenylpropanoate Traditional Name: (2S)-2-hydroxy-3-nitro-2-phenyl-propionic acid ethyl ester Formula: C11H13NO5 MolecularWeight: 239.22462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@@](C[N+](=O)[O-])(C1=CC=CC=C1)O

InChI

InChI=1S/C11H13NO5/c1-2-17-10(13)11(14,8-12(15)16)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3/t11-/m1/s1