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

Systemtic Name: methyl (2S)-2-[(S)-(4-nitrophenyl)-oxidanyl-methyl]butanoate Openeye Name: methyl (2S)-2-[(S)-hydroxy-(4-nitrophenyl)methyl]butanoate CAS Name: (2S)-2-[(S)-hydroxy-(4-nitrophenyl)methyl]butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(S)-hydroxy-(4-nitrophenyl)methyl]butanoate Traditional Name: (2S)-2-[(S)-hydroxy-(4-nitrophenyl)methyl]butyric acid methyl ester Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5/c1-3-10(12(15)18-2)11(14)8-4-6-9(7-5-8)13(16)17/h4-7,10-11,14H,3H2,1-2H3/t10-,11+/m0/s1