[(2S)-2-(hydroxymethyl)-5-methoxy-pyrrolidin-1-yl]-(6-nitro-1,3-benzodioxol-5-yl)methanone

Systemtic Name: [(2S)-2-(hydroxymethyl)-5-methoxy-pyrrolidin-1-yl]-(6-nitro-1,3-benzodioxol-5-yl)methanone Openeye Name: [(2S)-2-(hydroxymethyl)-5-methoxy-pyrrolidin-1-yl]-(6-nitro-1,3-benzodioxol-5-yl)methanone CAS Name: [(2S)-2-(hydroxymethyl)-5-methoxy-1-pyrrolidinyl]-(6-nitro-1,3-benzodioxol-5-yl)methanone IUPAC Name: [(2S)-2-(hydroxymethyl)-5-methoxypyrrolidin-1-yl]-(6-nitro-1,3-benzodioxol-5-yl)methanone Traditional Name: [(5S)-2-methoxy-5-methylol-pyrrolidino]-(6-nitro-1,3-benzodioxol-5-yl)methanone Formula: C14H16N2O7 MolecularWeight: 324.28604

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(N1C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)CO

Isomeric SMILES

COC1CC[C@H](N1C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)CO

InChI

InChI=1S/C14H16N2O7/c1-21-13-3-2-8(6-17)15(13)14(18)9-4-11-12(23-7-22-11)5-10(9)16(19)20/h4-5,8,13,17H,2-3,6-7H2,1H3/t8-,13?/m0/s1