ethyl (2S)-2-[(S)-(4-nitrophenyl)-oxidanyl-methyl]butanoate

Systemtic Name: ethyl (2S)-2-[(S)-(4-nitrophenyl)-oxidanyl-methyl]butanoate Openeye Name: ethyl (2S)-2-[(S)-hydroxy-(4-nitrophenyl)methyl]butanoate CAS Name: (2S)-2-[(S)-hydroxy-(4-nitrophenyl)methyl]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(S)-hydroxy-(4-nitrophenyl)methyl]butanoate Traditional Name: (2S)-2-[(S)-hydroxy-(4-nitrophenyl)methyl]butyric acid ethyl ester Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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