2-[[3-(benzotriazol-2-yl)-5-methyl-2-oxidanyl-phenyl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[[3-(benzotriazol-2-yl)-5-methyl-2-oxidanyl-phenyl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-dione Openeye Name: 2-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methyl-phenyl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-dione CAS Name: 2-[[3-(2-benzotriazolyl)-2-hydroxy-5-methylphenyl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-(benzotriazol-2-yl)-2-hydroxy-5-methyl-benzyl]-4,5,6,7-tetrahydroisoindole-1,3-quinone Formula: C22H20N4O3 MolecularWeight: 388.4192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CN4C(=O)C5=C(C4=O)CCCC5

Isomeric SMILES

CC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CN4C(=O)C5=C(C4=O)CCCC5

InChI

InChI=1S/C22H20N4O3/c1-13-10-14(12-25-21(28)15-6-2-3-7-16(15)22(25)29)20(27)19(11-13)26-23-17-8-4-5-9-18(17)24-26/h4-5,8-11,27H,2-3,6-7,12H2,1H3