methyl 4-[(1R,2S)-2-nitro-1-oxidanyl-propyl]benzoate

Systemtic Name: methyl 4-[(1R,2S)-2-nitro-1-oxidanyl-propyl]benzoate Openeye Name: methyl 4-[(1R,2S)-1-hydroxy-2-nitro-propyl]benzoate CAS Name: 4-[(1R,2S)-1-hydroxy-2-nitropropyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1R,2S)-1-hydroxy-2-nitropropyl]benzoate Traditional Name: 4-[(1R,2S)-1-hydroxy-2-nitro-propyl]benzoic acid methyl ester Formula: C11H13NO5 MolecularWeight: 239.22462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO5/c1-7(12(15)16)10(13)8-3-5-9(6-4-8)11(14)17-2/h3-7,10,13H,1-2H3/t7-,10-/m0/s1