2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyridazin-2-ium-1-yl)-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyridazin-2-ium-1-yl)-3,4-dihydrochromene-6-carbonitrile Openeye Name: 3-hydroxy-2,2-dimethyl-4-(2-oxopyridazin-2-ium-1-yl)chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridazin-2-iumyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2-dimethyl-4-(2-oxopyridazin-2-ium-1-yl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-4-(2-ketopyridazin-2-ium-1-yl)-2,2-dimethyl-chroman-6-carbonitrile Formula: C16H16N3O3+ MolecularWeight: 298.31654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=CC=C[N+]3=O)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=CC=C[N+]3=O)O)C

InChI

InChI=1S/C16H16N3O3/c1-16(2)15(20)14(18-7-3-4-8-19(18)21)12-9-11(10-17)5-6-13(12)22-16/h3-9,14-15,20H,1-2H3/q+1