3-[5-(dimethylamino)-4,5-bis(oxidanyl)-3-oxidanylidene-1,2-diazinan-1-yl]benzenecarbonitrile

Systemtic Name: 3-[5-(dimethylamino)-4,5-bis(oxidanyl)-3-oxidanylidene-1,2-diazinan-1-yl]benzenecarbonitrile Openeye Name: 3-[5-(dimethylamino)-4,5-dihydroxy-3-oxo-hexahydropyridazin-1-yl]benzonitrile CAS Name: 3-[5-(dimethylamino)-4,5-dihydroxy-3-oxo-1-diazinanyl]benzonitrile IUPAC Name: 3-[5-(dimethylamino)-4,5-dihydroxy-3-oxodiazinan-1-yl]benzonitrile Traditional Name: 3-[5-(dimethylamino)-4,5-dihydroxy-3-keto-hexahydropyridazin-1-yl]benzonitrile Formula: C13H16N4O3 MolecularWeight: 276.29114

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CN(NC(=O)C1O)C2=CC=CC(=C2)C#N)O

Isomeric SMILES

CN(C)C1(CN(NC(=O)C1O)C2=CC=CC(=C2)C#N)O

InChI

InChI=1S/C13H16N4O3/c1-16(2)13(20)8-17(15-12(19)11(13)18)10-5-3-4-9(6-10)7-14/h3-6,11,18,20H,8H2,1-2H3,(H,15,19)