4-nitro-5-oxidanyl-6,8-bis(trifluoromethyl)-1H-1-benzazepine-2,3-dione

Systemtic Name: 4-nitro-5-oxidanyl-6,8-bis(trifluoromethyl)-1H-1-benzazepine-2,3-dione Openeye Name: 5-hydroxy-4-nitro-6,8-bis(trifluoromethyl)-1H-1-benzazepine-2,3-dione CAS Name: 5-hydroxy-4-nitro-6,8-bis(trifluoromethyl)-1H-1-benzazepine-2,3-dione IUPAC Name: 5-hydroxy-4-nitro-6,8-bis(trifluoromethyl)-1H-1-benzazepine-2,3-dione Traditional Name: 5-hydroxy-4-nitro-6,8-bis(trifluoromethyl)-1H-1-benzazepine-2,3-quinone Formula: C12H4F6N2O5 MolecularWeight: 370.160979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1C(F)(F)F)C(=C(C(=O)C(=O)N2)[N+](=O)[O-])O)C(F)(F)F

Isomeric SMILES

C1=C(C=C2C(=C1C(F)(F)F)C(=C(C(=O)C(=O)N2)[N+](=O)[O-])O)C(F)(F)F

InChI

InChI=1S/C12H4F6N2O5/c13-11(14,15)3-1-4(12(16,17)18)6-5(2-3)19-10(23)9(22)7(8(6)21)20(24)25/h1-2,21H,(H,19,22,23)