[(2S,5R)-2-(hydroxymethyl)-5-methoxy-pyrrolidin-1-yl]-(2-nitrophenyl)methanone

Systemtic Name: [(2S,5R)-2-(hydroxymethyl)-5-methoxy-pyrrolidin-1-yl]-(2-nitrophenyl)methanone Openeye Name: [(2S,5R)-2-(hydroxymethyl)-5-methoxy-pyrrolidin-1-yl]-(2-nitrophenyl)methanone CAS Name: [(2S,5R)-2-(hydroxymethyl)-5-methoxy-1-pyrrolidinyl]-(2-nitrophenyl)methanone IUPAC Name: [(2S,5R)-2-(hydroxymethyl)-5-methoxypyrrolidin-1-yl]-(2-nitrophenyl)methanone Traditional Name: [(2R,5S)-2-methoxy-5-methylol-pyrrolidino]-(2-nitrophenyl)methanone Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(N1C(=O)C2=CC=CC=C2[N+](=O)[O-])CO

Isomeric SMILES

CO[C@@H]1CC[C@H](N1C(=O)C2=CC=CC=C2[N+](=O)[O-])CO

InChI

InChI=1S/C13H16N2O5/c1-20-12-7-6-9(8-16)14(12)13(17)10-4-2-3-5-11(10)15(18)19/h2-5,9,12,16H,6-8H2,1H3/t9-,12+/m0/s1