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

Systemtic Name: 2-[6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-5-nitro-benzenecarbonitrile Openeye Name: 5-nitro-2-[2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-benzonitrile CAS Name: 5-nitro-2-[[2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]oxy]benzonitrile IUPAC Name: 5-nitro-2-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxybenzonitrile Traditional Name: 5-nitro-2-(2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl)oxy-benzonitrile Formula: C13H14N2O8 MolecularWeight: 326.25886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C#N)OC2C(C(C(OC2O)CO)O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)OC2C(C(C(OC2O)CO)O)O

InChI

InChI=1S/C13H14N2O8/c14-4-6-3-7(15(20)21)1-2-8(6)22-12-11(18)10(17)9(5-16)23-13(12)19/h1-3,9-13,16-19H,5H2