6-imidazol-1-yl-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione hydrate hydrochloride

Systemtic Name: 6-imidazol-1-yl-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione hydrate hydrochloride Openeye Name: 6-imidazol-1-yl-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione hydrate hydrochloride CAS Name: 6-(1-imidazolyl)-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione hydrate hydrochloride IUPAC Name: 6-imidazol-1-yl-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione hydrate hydrochloride Traditional Name: 6-imidazol-1-yl-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-quinone hydrate hydrochloride Formula: C12H10ClF3N4O3 MolecularWeight: 350.68101

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)C2=CC3=C(C=C2C(F)(F)F)NC(=O)C(=O)N3.O.Cl

Isomeric SMILES

C1=CN(C=N1)C2=CC3=C(C=C2C(F)(F)F)NC(=O)C(=O)N3.O.Cl

InChI

InChI=1S/C12H7F3N4O2.ClH.H2O/c13-12(14,15)6-3-7-8(18-11(21)10(20)17-7)4-9(6)19-2-1-16-5-19;;/h1-5H,(H,17,20)(H,18,21);1H;1H2