ethyl (3S)-2,2-dimethyl-3-(4-nitrophenyl)-3-oxidanyl-propanoate

Systemtic Name: ethyl (3S)-2,2-dimethyl-3-(4-nitrophenyl)-3-oxidanyl-propanoate Openeye Name: ethyl (3S)-3-hydroxy-2,2-dimethyl-3-(4-nitrophenyl)propanoate CAS Name: (3S)-3-hydroxy-2,2-dimethyl-3-(4-nitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-hydroxy-2,2-dimethyl-3-(4-nitrophenyl)propanoate Traditional Name: (3S)-3-hydroxy-2,2-dimethyl-3-(4-nitrophenyl)propionic acid ethyl ester Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5/c1-4-19-12(16)13(2,3)11(15)9-5-7-10(8-6-9)14(17)18/h5-8,11,15H,4H2,1-3H3/t11-/m0/s1