4-[1-(3-oxidanylidene-3-phenyl-propyl)pyrrolidin-1-ium-3-yl]-1,4-benzoxazin-3-one; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 4-[1-(3-oxidanylidene-3-phenyl-propyl)pyrrolidin-1-ium-3-yl]-1,4-benzoxazin-3-one; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 4-[1-(3-oxo-3-phenyl-propyl)pyrrolidin-1-ium-3-yl]-1,4-benzoxazin-3-one CAS Name: 2-hydroxy-2-oxoacetate; 4-[1-(3-oxo-3-phenylpropyl)-3-pyrrolidin-1-iumyl]-1,4-benzoxazin-3-one IUPAC Name: 2-hydroxy-2-oxoacetate; 4-[1-(3-oxo-3-phenylpropyl)pyrrolidin-1-ium-3-yl]-1,4-benzoxazin-3-one Traditional Name: 4-[1-(3-keto-3-phenyl-propyl)pyrrolidin-1-ium-3-yl]-1,4-benzoxazin-3-one binoxalate Formula: C23H24N2O7 MolecularWeight: 440.44586

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1N2C(=O)COC3=CC=CC=C32)CCC(=O)C4=CC=CC=C4.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1C[NH+](CC1N2C(=O)COC3=CC=CC=C32)CCC(=O)C4=CC=CC=C4.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C21H22N2O3.C2H2O4/c24-19(16-6-2-1-3-7-16)11-13-22-12-10-17(14-22)23-18-8-4-5-9-20(18)26-15-21(23)25;3-1(4)2(5)6/h1-9,17H,10-15H2;(H,3,4)(H,5,6)