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

Systemtic Name: methyl 2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-nitro-benzoate Openeye Name: methyl 5-nitro-2-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoate CAS Name: 5-nitro-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate Traditional Name: 5-nitro-2-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-benzoic acid methyl ester Formula: C14H17NO10 MolecularWeight: 359.28548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO10/c1-23-13(20)7-4-6(15(21)22)2-3-8(7)24-14-12(19)11(18)10(17)9(5-16)25-14/h2-4,9-12,14,16-19H,5H2,1H3