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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=C(C=C2C(=C1C(F)(F)F)C(=O)C(=O)C(=C(N2)O)[N+](=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)7(20(24)25)9(22)8(6)21/h1-2,19,23H