(3,5-dimethoxy-2-nitro-4-phenylmethoxy-phenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone

Systemtic Name: (3,5-dimethoxy-2-nitro-4-phenylmethoxy-phenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone Openeye Name: (4-benzyloxy-3,5-dimethoxy-2-nitro-phenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone CAS Name: (3,5-dimethoxy-2-nitro-4-phenylmethoxyphenyl)-[2-(hydroxymethyl)-1-pyrrolidinyl]methanone IUPAC Name: (3,5-dimethoxy-2-nitro-4-phenylmethoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone Traditional Name: (4-benzoxy-3,5-dimethoxy-2-nitro-phenyl)-(2-methylolpyrrolidino)methanone Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)N2CCCC2CO)[N+](=O)[O-])OC)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)N2CCCC2CO)[N+](=O)[O-])OC)OCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O7/c1-28-17-11-16(21(25)22-10-6-9-15(22)12-24)18(23(26)27)20(29-2)19(17)30-13-14-7-4-3-5-8-14/h3-5,7-8,11,15,24H,6,9-10,12-13H2,1-2H3