2-[4-(hydroxymethyl)-2-nitro-phenoxy]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(hydroxymethyl)-2-nitro-phenoxy]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(hydroxymethyl)-2-nitro-phenoxy]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(hydroxymethyl)-2-nitrophenoxy]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(hydroxymethyl)-2-nitrophenoxy]-1-pyrrolidin-1-ylethanone Traditional Name: 2-(4-methylol-2-nitro-phenoxy)-1-pyrrolidino-ethanone Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC2=C(C=C(C=C2)CO)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)COC2=C(C=C(C=C2)CO)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5/c16-8-10-3-4-12(11(7-10)15(18)19)20-9-13(17)14-5-1-2-6-14/h3-4,7,16H,1-2,5-6,8-9H2