1-[2-(hydroxymethyl)-1H-benzimidazol-1-ium-1-yl]-3-(4-nitrophenoxy)propan-2-ol; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-[2-(hydroxymethyl)-1H-benzimidazol-1-ium-1-yl]-3-(4-nitrophenoxy)propan-2-ol; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-[2-(hydroxymethyl)-1H-benzimidazol-1-ium-1-yl]-3-(4-nitrophenoxy)propan-2-ol; 2-hydroxy-2-oxo-acetate CAS Name: 1-[2-(hydroxymethyl)-1H-benzimidazol-1-ium-1-yl]-3-(4-nitrophenoxy)-2-propanol; 2-hydroxy-2-oxoacetate IUPAC Name: 1-[2-(hydroxymethyl)-1H-benzimidazol-1-ium-1-yl]-3-(4-nitrophenoxy)propan-2-ol; 2-hydroxy-2-oxoacetate Traditional Name: 1-(2-methylol-1H-benzimidazol-1-ium-1-yl)-3-(4-nitrophenoxy)propan-2-ol binoxalate Formula: C19H19N3O9 MolecularWeight: 433.36886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C([NH+]2CC(COC3=CC=C(C=C3)[N+](=O)[O-])O)CO.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)N=C([NH+]2CC(COC3=CC=C(C=C3)[N+](=O)[O-])O)CO.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C17H17N3O5.C2H2O4/c21-10-17-18-15-3-1-2-4-16(15)19(17)9-13(22)11-25-14-7-5-12(6-8-14)20(23)24;3-1(4)2(5)6/h1-8,13,21-22H,9-11H2;(H,3,4)(H,5,6)