2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile; 2-methyl-6-(methylamino)pyridazin-3-one

Systemtic Name: 2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile; 2-methyl-6-(methylamino)pyridazin-3-one Openeye Name: 3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile; 2-methyl-6-(methylamino)pyridazin-3-one CAS Name: 3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile; 2-methyl-6-(methylamino)-3-pyridazinone IUPAC Name: 3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile; 2-methyl-6-(methylamino)pyridazin-3-one Traditional Name: 3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile; 2-methyl-6-(methylamino)pyridazin-3-one Formula: C18H22N4O3 MolecularWeight: 342.39228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC2=C(O1)C=CC(=C2)C#N)O)C.CNC1=NN(C(=O)C=C1)C

Isomeric SMILES

CC1(C(CC2=C(O1)C=CC(=C2)C#N)O)C.CNC1=NN(C(=O)C=C1)C

InChI

InChI=1S/C12H13NO2.C6H9N3O/c1-12(2)11(14)6-9-5-8(7-13)3-4-10(9)15-12;1-7-5-3-4-6(10)9(2)8-5/h3-5,11,14H,6H2,1-2H3;3-4H,1-2H3,(H,7,8)