3-(2-cyano-4-nitro-phenoxy)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-olate

Systemtic Name: 3-(2-cyano-4-nitro-phenoxy)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-olate Openeye Name: 3-(2-cyano-4-nitro-phenoxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-olate CAS Name: 3-(2-cyano-4-nitrophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanolate IUPAC Name: 3-(2-cyano-4-nitrophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate Traditional Name: 3-(2-cyano-4-nitro-phenoxy)-4,5-dihydroxy-6-methylol-tetrahydropyran-2-olate Formula: C13H13N2O8- MolecularWeight: 325.25092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C#N)OC2C(C(C(OC2[O-])CO)O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)OC2C(C(C(OC2[O-])CO)O)O

InChI

InChI=1S/C13H13N2O8/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/h1-3,9-13,16-18H,5H2/q-1