2-[6-fluoranyl-3-(2-hydroxyphenyl)benzotriazol-5-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 2-[6-fluoranyl-3-(2-hydroxyphenyl)benzotriazol-5-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-[6-fluoro-3-(2-hydroxyphenyl)benzotriazol-5-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-[6-fluoro-3-(2-hydroxyphenyl)-5-benzotriazolyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-[6-fluoro-3-(2-hydroxyphenyl)benzotriazol-5-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-[6-fluoro-3-(2-hydroxyphenyl)benzotriazol-5-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C20H17FN4O3 MolecularWeight: 380.372383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)C3=C(C=C4C(=C3)N(N=N4)C5=CC=CC=C5O)F

Isomeric SMILES

C1CCC2C(C1)C(=O)N(C2=O)C3=C(C=C4C(=C3)N(N=N4)C5=CC=CC=C5O)F

InChI

InChI=1S/C20H17FN4O3/c21-13-9-14-17(25(23-22-14)15-7-3-4-8-18(15)26)10-16(13)24-19(27)11-5-1-2-6-12(11)20(24)28/h3-4,7-12,26H,1-2,5-6H2