1-(6-chloranyl-2-ethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propan-2-yl-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-(6-chloranyl-2-ethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propan-2-yl-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-1-methyl-ethyl]-dimethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 1-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)propan-2-yl-dimethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 1-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)propan-2-yl-dimethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: [2-(6-chloro-2-ethyl-3-keto-1,4-benzoxazin-4-yl)-1-methyl-ethyl]-dimethyl-ammonium binoxalate Formula: C17H23ClN2O6 MolecularWeight: 386.82732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(C)[NH+](C)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(C)[NH+](C)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C15H21ClN2O2.C2H2O4/c1-5-13-15(19)18(9-10(2)17(3)4)12-8-11(16)6-7-14(12)20-13;3-1(4)2(5)6/h6-8,10,13H,5,9H2,1-4H3;(H,3,4)(H,5,6)