5-(2,2-dimethylpropanoyl)-2-phenyl-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione

Systemtic Name: 5-(2,2-dimethylpropanoyl)-2-phenyl-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione Openeye Name: 5-(2,2-dimethylpropanoyl)-2-phenyl-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione CAS Name: 5-(2,2-dimethyl-1-oxopropyl)-2-phenyl-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione IUPAC Name: 5-(2,2-dimethylpropanoyl)-2-phenyl-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione Traditional Name: 2-phenyl-5-pivaloyl-[1,2,4]triazolo[1,2-a]cinnoline-1,3-quinone Formula: C21H19N3O3 MolecularWeight: 361.39386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1=CC2=CC=CC=C2N3N1C(=O)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)C1=CC2=CC=CC=C2N3N1C(=O)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O3/c1-21(2,3)18(25)17-13-14-9-7-8-12-16(14)23-19(26)22(20(27)24(17)23)15-10-5-4-6-11-15/h4-13H,1-3H3