[1-[(2-nitrophenyl)methyl]piperidin-1-ium-3-yl]-pyrrolidin-1-yl-methanone; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [1-[(2-nitrophenyl)methyl]piperidin-1-ium-3-yl]-pyrrolidin-1-yl-methanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; [1-[(2-nitrophenyl)methyl]piperidin-1-ium-3-yl]-pyrrolidin-1-yl-methanone CAS Name: 2-hydroxy-2-oxoacetate; [1-[(2-nitrophenyl)methyl]-3-piperidin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: 2-hydroxy-2-oxoacetate; [1-[(2-nitrophenyl)methyl]piperidin-1-ium-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-(2-nitrobenzyl)piperidin-1-ium-3-yl]-pyrrolidino-methanone binoxalate Formula: C19H25N3O7 MolecularWeight: 407.4177

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CCC[NH+](C2)CC3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CCN(C1)C(=O)C2CCC[NH+](C2)CC3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)[O-])O

InChI

InChI=1S/C17H23N3O3.C2H2O4/c21-17(19-10-3-4-11-19)15-7-5-9-18(13-15)12-14-6-1-2-8-16(14)20(22)23;3-1(4)2(5)6/h1-2,6,8,15H,3-5,7,9-13H2;(H,3,4)(H,5,6)