[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methoxy-2-nitro-4-oxidanyl-phenyl)methanone

Systemtic Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methoxy-2-nitro-4-oxidanyl-phenyl)methanone Openeye Name: (4-hydroxy-5-methoxy-2-nitro-phenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone CAS Name: (4-hydroxy-5-methoxy-2-nitrophenyl)-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]methanone IUPAC Name: (4-hydroxy-5-methoxy-2-nitrophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone Traditional Name: (4-hydroxy-5-methoxy-2-nitro-phenyl)-[(2S)-2-methylolpyrrolidino]methanone Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c1-21-12-5-9(10(15(19)20)6-11(12)17)13(18)14-4-2-3-8(14)7-16/h5-6,8,16-17H,2-4,7H2,1H3/t8-/m0/s1