2,3-bis(oxidanyl)butanedioic acid; pyridin-3-ylmethyl 1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxylate

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; pyridin-3-ylmethyl 1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxylate Openeye Name: 2,3-dihydroxybutanedioic acid; 3-pyridylmethyl 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylate CAS Name: 2,3-dihydroxybutanedioic acid; 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylic acid 3-pyridinylmethyl ester IUPAC Name: 2,3-dihydroxybutanedioic acid; pyridin-3-ylmethyl 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylate Traditional Name: 1-oxidobenzofurazan-1-ium-5-carboxylic acid 3-pyridylmethyl ester; tartaric acid Formula: C17H15N3O10 MolecularWeight: 421.3151

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)COC(=O)C2=CC3=NO[N+](=C3C=C2)[O-].C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CN=C1)COC(=O)C2=CC3=NO[N+](=C3C=C2)[O-].C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C13H9N3O4.C4H6O6/c17-13(19-8-9-2-1-5-14-7-9)10-3-4-12-11(6-10)15-20-16(12)18;5-1(3(7)8)2(6)4(9)10/h1-7H,8H2;1-2,5-6H,(H,7,8)(H,9,10)