6-(3,5-dinitrophenyl)-4-oxidanyl-2-(2-oxidanylbutyl)-4,5-dihydropyridazin-3-one

Systemtic Name: 6-(3,5-dinitrophenyl)-4-oxidanyl-2-(2-oxidanylbutyl)-4,5-dihydropyridazin-3-one Openeye Name: 6-(3,5-dinitrophenyl)-4-hydroxy-2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one CAS Name: 6-(3,5-dinitrophenyl)-4-hydroxy-2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one IUPAC Name: 6-(3,5-dinitrophenyl)-4-hydroxy-2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one Traditional Name: 6-(3,5-dinitrophenyl)-4-hydroxy-2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one Formula: C14H16N4O7 MolecularWeight: 352.29944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C(=O)C(CC(=N1)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O)O

Isomeric SMILES

CCC(CN1C(=O)C(CC(=N1)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O)O

InChI

InChI=1S/C14H16N4O7/c1-2-11(19)7-16-14(21)13(20)6-12(15-16)8-3-9(17(22)23)5-10(4-8)18(24)25/h3-5,11,13,19-20H,2,6-7H2,1H3