2,2-dimethyl-3-(4-phenyl-1,2,3-triazol-1-yl)-3H-benzo[g][1]benzofuran-4,5-dione

Systemtic Name: 2,2-dimethyl-3-(4-phenyl-1,2,3-triazol-1-yl)-3H-benzo[g][1]benzofuran-4,5-dione Openeye Name: 2,2-dimethyl-3-(4-phenyltriazol-1-yl)-3H-benzo[g]benzofuran-4,5-dione CAS Name: 2,2-dimethyl-3-(4-phenyl-1-triazolyl)-3H-benzo[g]benzofuran-4,5-dione IUPAC Name: 2,2-dimethyl-3-(4-phenyltriazol-1-yl)-3H-benzo[g][1]benzofuran-4,5-dione Traditional Name: 2,2-dimethyl-3-(4-phenyltriazol-1-yl)-3H-benzo[g]benzofuran-4,5-quinone Formula: C22H17N3O3 MolecularWeight: 371.38868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C2=C(O1)C3=CC=CC=C3C(=O)C2=O)N4C=C(N=N4)C5=CC=CC=C5)C

Isomeric SMILES

CC1(C(C2=C(O1)C3=CC=CC=C3C(=O)C2=O)N4C=C(N=N4)C5=CC=CC=C5)C

InChI

InChI=1S/C22H17N3O3/c1-22(2)21(25-12-16(23-24-25)13-8-4-3-5-9-13)17-19(27)18(26)14-10-6-7-11-15(14)20(17)28-22/h3-12,21H,1-2H3