2-(hydroxymethyl)-6-[(4-methyl-3,5-dinitro-phenyl)amino]oxane-3,4,5-triol

Systemtic Name: 2-(hydroxymethyl)-6-[(4-methyl-3,5-dinitro-phenyl)amino]oxane-3,4,5-triol Openeye Name: 2-(hydroxymethyl)-6-(4-methyl-3,5-dinitro-anilino)tetrahydropyran-3,4,5-triol CAS Name: 2-(hydroxymethyl)-6-(4-methyl-3,5-dinitroanilino)oxane-3,4,5-triol IUPAC Name: 2-(hydroxymethyl)-6-(4-methyl-3,5-dinitroanilino)oxane-3,4,5-triol Traditional Name: 2-(4-methyl-3,5-dinitro-anilino)-6-methylol-tetrahydropyran-3,4,5-triol Formula: C13H17N3O9 MolecularWeight: 359.28878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])NC2C(C(C(C(O2)CO)O)O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])NC2C(C(C(C(O2)CO)O)O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O9/c1-5-7(15(21)22)2-6(3-8(5)16(23)24)14-13-12(20)11(19)10(18)9(4-17)25-13/h2-3,9-14,17-20H,4H2,1H3