2-[[4-(2-chloranylethanoylamino)phenyl]carbonylamino]ethyl-diethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-[[4-(2-chloranylethanoylamino)phenyl]carbonylamino]ethyl-diethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-[[4-[(2-chloroacetyl)amino]benzoyl]amino]ethyl-diethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-[[[4-[(2-chloro-1-oxoethyl)amino]phenyl]-oxomethyl]amino]ethyl-diethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 2-[[4-[(2-chloroacetyl)amino]benzoyl]amino]ethyl-diethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: 2-[[4-[(2-chloroacetyl)amino]benzoyl]amino]ethyl-diethyl-ammonium binoxalate Formula: C17H24ClN3O6 MolecularWeight: 401.84196

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)CCl.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)CCl.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C15H22ClN3O2.C2H2O4/c1-3-19(4-2)10-9-17-15(21)12-5-7-13(8-6-12)18-14(20)11-16;3-1(4)2(5)6/h5-8H,3-4,9-11H2,1-2H3,(H,17,21)(H,18,20);(H,3,4)(H,5,6)