2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-nitro-benzamide

Systemtic Name: 2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-nitro-benzamide Openeye Name: 5-nitro-2-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzamide CAS Name: 5-nitro-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]benzamide IUPAC Name: 5-nitro-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide Traditional Name: 5-nitro-2-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-benzamide Formula: C13H16N2O9 MolecularWeight: 344.27414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)N)OC2C(C(C(C(O2)CO)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)N)OC2C(C(C(C(O2)CO)O)O)O

InChI

InChI=1S/C13H16N2O9/c14-12(20)6-3-5(15(21)22)1-2-7(6)23-13-11(19)10(18)9(17)8(4-16)24-13/h1-3,8-11,13,16-19H,4H2,(H2,14,20)