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

Systemtic Name: 2-[6-fluoranyl-3-[4-(trifluoromethyloxy)phenyl]benzotriazol-5-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]benzotriazol-5-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]-5-benzotriazolyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]benzotriazol-5-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]benzotriazol-5-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C21H16F4N4O3 MolecularWeight: 448.370353

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16F4N4O3/c22-15-9-16-18(10-17(15)28-19(30)13-3-1-2-4-14(13)20(28)31)29(27-26-16)11-5-7-12(8-6-11)32-21(23,24)25/h5-10,13-14H,1-4H2