2-[azanyl(benzotriazol-1-yl)methylidene]-5,5-dimethyl-cyclohexane-1,3-dione; 2H-benzotriazole

Systemtic Name: 2-[azanyl(benzotriazol-1-yl)methylidene]-5,5-dimethyl-cyclohexane-1,3-dione; 2H-benzotriazole Openeye Name: 2-[amino(benzotriazol-1-yl)methylene]-5,5-dimethyl-cyclohexane-1,3-dione; 2H-benzotriazole CAS Name: 2-[amino(1-benzotriazolyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione; 2H-benzotriazole IUPAC Name: 2-[amino(benzotriazol-1-yl)methylidene]-5,5-dimethylcyclohexane-1,3-dione; 2H-benzotriazole Traditional Name: 2-[amino(benzotriazol-1-yl)methylene]-5,5-dimethyl-cyclohexane-1,3-quinone; 2H-benzotriazole Formula: C21H21N7O2 MolecularWeight: 403.43714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=C(N)N2C3=CC=CC=C3N=N2)C(=O)C1)C.C1=CC2=NNN=C2C=C1

Isomeric SMILES

CC1(CC(=O)C(=C(N)N2C3=CC=CC=C3N=N2)C(=O)C1)C.C1=CC2=NNN=C2C=C1

InChI

InChI=1S/C15H16N4O2.C6H5N3/c1-15(2)7-11(20)13(12(21)8-15)14(16)19-10-6-4-3-5-9(10)17-18-19;1-2-4-6-5(3-1)7-9-8-6/h3-6H,7-8,16H2,1-2H3;1-4H,(H,7,8,9)