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

Systemtic Name: 2-(hydroxymethyl)-6-[3-methyl-4,6-dinitro-2-(oxidanylamino)phenyl]oxane-3,4,5-triol Openeye Name: 2-[2-(hydroxyamino)-3-methyl-4,6-dinitro-phenyl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: 2-[2-(hydroxyamino)-3-methyl-4,6-dinitrophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: 2-[2-(hydroxyamino)-3-methyl-4,6-dinitrophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: 2-[2-(hydroxyamino)-3-methyl-4,6-dinitro-phenyl]-6-methylol-tetrahydropyran-3,4,5-triol Formula: C13H17N3O10 MolecularWeight: 375.28818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1NO)C2C(C(C(C(O2)CO)O)O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C(=C1NO)C2C(C(C(C(O2)CO)O)O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O10/c1-4-5(15(22)23)2-6(16(24)25)8(9(4)14-21)13-12(20)11(19)10(18)7(3-17)26-13/h2,7,10-14,17-21H,3H2,1H3