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

Systemtic Name: [(2S)-2-(hydroxymethyl)-5-methoxy-pyrrolidin-1-yl]-(3-methoxy-2-nitro-phenyl)methanone Openeye Name: [(2S)-2-(hydroxymethyl)-5-methoxy-pyrrolidin-1-yl]-(3-methoxy-2-nitro-phenyl)methanone CAS Name: [(2S)-2-(hydroxymethyl)-5-methoxy-1-pyrrolidinyl]-(3-methoxy-2-nitrophenyl)methanone IUPAC Name: [(2S)-2-(hydroxymethyl)-5-methoxypyrrolidin-1-yl]-(3-methoxy-2-nitrophenyl)methanone Traditional Name: [(5S)-2-methoxy-5-methylol-pyrrolidino]-(3-methoxy-2-nitro-phenyl)methanone Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O6/c1-21-11-5-3-4-10(13(11)16(19)20)14(18)15-9(8-17)6-7-12(15)22-2/h3-5,9,12,17H,6-8H2,1-2H3/t9-,12?/m0/s1