4-(4-methylphenoxy)-1,3,7-triphenyl-4H-[1,2,4]triazolo[1,2-a][1,2,3,4]tetrazine-6,8-dione

Systemtic Name: 4-(4-methylphenoxy)-1,3,7-triphenyl-4H-[1,2,4]triazolo[1,2-a][1,2,3,4]tetrazine-6,8-dione Openeye Name: 4-(4-methylphenoxy)-1,3,7-triphenyl-4H-[1,2,4]triazolo[1,2-a]tetrazine-6,8-dione CAS Name: 4-(4-methylphenoxy)-1,3,7-triphenyl-4H-[1,2,4]triazolo[1,2-a]tetrazine-6,8-dione IUPAC Name: 4-(4-methylphenoxy)-1,3,7-triphenyl-4H-[1,2,4]triazolo[1,2-a]tetrazine-6,8-dione Traditional Name: 4-(4-methylphenoxy)-1,3,7-triphenyl-4H-[1,2,4]triazolo[1,2-a]tetrazine-6,8-quinone Formula: C29H23N5O3 MolecularWeight: 489.52462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2C(=NN(N3N2C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)OC2C(=NN(N3N2C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H23N5O3/c1-21-17-19-25(20-18-21)37-27-26(22-11-5-2-6-12-22)30-33(24-15-9-4-10-16-24)34-29(36)31(28(35)32(27)34)23-13-7-3-8-14-23/h2-20,27H,1H3