ethyl (2R)-2-(nitromethyl)-2-oxidanyl-4-phenyl-butanoate

Systemtic Name: ethyl (2R)-2-(nitromethyl)-2-oxidanyl-4-phenyl-butanoate Openeye Name: ethyl (2R)-2-hydroxy-2-(nitromethyl)-4-phenyl-butanoate CAS Name: (2R)-2-hydroxy-2-(nitromethyl)-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-hydroxy-2-(nitromethyl)-4-phenylbutanoate Traditional Name: (2R)-2-hydroxy-2-(nitromethyl)-4-phenyl-butyric acid ethyl ester Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)(C[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)[C@@](CCC1=CC=CC=C1)(C[N+](=O)[O-])O

InChI

InChI=1S/C13H17NO5/c1-2-19-12(15)13(16,10-14(17)18)9-8-11-6-4-3-5-7-11/h3-7,16H,2,8-10H2,1H3/t13-/m1/s1