2-(6-fluoranyl-2,4-dinitro-3-oxidanyl-phenyl)-3a,4,5,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-(6-fluoranyl-2,4-dinitro-3-oxidanyl-phenyl)-3a,4,5,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-(6-fluoro-3-hydroxy-2,4-dinitro-phenyl)-3a,4,5,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-(6-fluoro-3-hydroxy-2,4-dinitrophenyl)-3a,4,5,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-(6-fluoro-3-hydroxy-2,4-dinitrophenyl)-3a,4,5,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-(6-fluoro-3-hydroxy-2,4-dinitro-phenyl)-3a,4,5,7a-tetrahydroisoindole-1,3-quinone Formula: C14H10FN3O7 MolecularWeight: 351.243503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C=C1)C(=O)N(C2=O)C3=C(C=C(C(=C3[N+](=O)[O-])O)[N+](=O)[O-])F

Isomeric SMILES

C1CC2C(C=C1)C(=O)N(C2=O)C3=C(C=C(C(=C3[N+](=O)[O-])O)[N+](=O)[O-])F

InChI

InChI=1S/C14H10FN3O7/c15-8-5-9(17(22)23)12(19)11(18(24)25)10(8)16-13(20)6-3-1-2-4-7(6)14(16)21/h1,3,5-7,19H,2,4H2