ethanedioic acid; 2-(pyridin-3-ylcarbonylamino)ethyl nitrate

Systemtic Name: ethanedioic acid; 2-(pyridin-3-ylcarbonylamino)ethyl nitrate Openeye Name: oxalic acid; 2-(pyridine-3-carbonylamino)ethyl nitrate CAS Name: nitric acid 2-[[oxo(3-pyridinyl)methyl]amino]ethyl ester; oxalic acid IUPAC Name: oxalic acid; 2-(pyridine-3-carbonylamino)ethyl nitrate Traditional Name: nitric acid 2-nicotinamidoethyl ester; oxalic acid Formula: C10H11N3O8 MolecularWeight: 301.20964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NCCO[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NCCO[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C8H9N3O4.C2H2O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14;3-1(4)2(5)6/h1-3,6H,4-5H2,(H,10,12);(H,3,4)(H,5,6)