(3R)-1-[(3-methoxy-5-nitro-2-oxidanyl-phenyl)methyl]piperidin-3-ol

Systemtic Name: (3R)-1-[(3-methoxy-5-nitro-2-oxidanyl-phenyl)methyl]piperidin-3-ol Openeye Name: (3R)-1-[(2-hydroxy-3-methoxy-5-nitro-phenyl)methyl]piperidin-3-ol CAS Name: (3R)-1-[(2-hydroxy-3-methoxy-5-nitrophenyl)methyl]-3-piperidinol IUPAC Name: (3R)-1-[(2-hydroxy-3-methoxy-5-nitrophenyl)methyl]piperidin-3-ol Traditional Name: (3R)-1-(2-hydroxy-3-methoxy-5-nitro-benzyl)piperidin-3-ol Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])CN2CCCC(C2)O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])CN2CCC[C@H](C2)O)O

InChI

InChI=1S/C13H18N2O5/c1-20-12-6-10(15(18)19)5-9(13(12)17)7-14-4-2-3-11(16)8-14/h5-6,11,16-17H,2-4,7-8H2,1H3/t11-/m1/s1