2-[1,2,3-benzothiadiazol-7-yl(oxidanyl)methylidene]-5-methyl-cyclohexane-1,3-dione

Systemtic Name: 2-[1,2,3-benzothiadiazol-7-yl(oxidanyl)methylidene]-5-methyl-cyclohexane-1,3-dione Openeye Name: 2-[1,2,3-benzothiadiazol-7-yl(hydroxy)methylene]-5-methyl-cyclohexane-1,3-dione CAS Name: 2-[1,2,3-benzothiadiazol-7-yl(hydroxy)methylidene]-5-methylcyclohexane-1,3-dione IUPAC Name: 2-[1,2,3-benzothiadiazol-7-yl(hydroxy)methylidene]-5-methylcyclohexane-1,3-dione Traditional Name: 2-[1,2,3-benzothiadiazol-7-yl(hydroxy)methylene]-5-methyl-cyclohexane-1,3-quinone Formula: C14H12N2O3S MolecularWeight: 288.32168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(=C(C2=C3C(=CC=C2)N=NS3)O)C(=O)C1

Isomeric SMILES

CC1CC(=O)C(=C(C2=C3C(=CC=C2)N=NS3)O)C(=O)C1

InChI

InChI=1S/C14H12N2O3S/c1-7-5-10(17)12(11(18)6-7)13(19)8-3-2-4-9-14(8)20-16-15-9/h2-4,7,19H,5-6H2,1H3