[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methoxy-2-nitro-phenyl)methanone

Systemtic Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methoxy-2-nitro-phenyl)methanone Openeye Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methoxy-2-nitro-phenyl)methanone CAS Name: [(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-(5-methoxy-2-nitrophenyl)methanone IUPAC Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methoxy-2-nitrophenyl)methanone Traditional Name: (5-methoxy-2-nitro-phenyl)-[(2S)-2-methylolpyrrolidino]methanone Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)N2CCCC2CO

Isomeric SMILES

COC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)N2CCC[C@H]2CO

InChI

InChI=1S/C13H16N2O5/c1-20-10-4-5-12(15(18)19)11(7-10)13(17)14-6-2-3-9(14)8-16/h4-5,7,9,16H,2-3,6,8H2,1H3/t9-/m0/s1