(E)-but-2-enedioic acid; nitric acid; 3-(quinolin-2-ylamino)propane-1,2-diol

Systemtic Name: (E)-but-2-enedioic acid; nitric acid; 3-(quinolin-2-ylamino)propane-1,2-diol Openeye Name: fumaric acid; nitric acid; 3-(2-quinolylamino)propane-1,2-diol CAS Name: (E)-2-butenedioic acid; nitric acid; 3-(2-quinolinylamino)propane-1,2-diol IUPAC Name: (E)-but-2-enedioic acid; nitric acid; 3-(quinolin-2-ylamino)propane-1,2-diol Traditional Name: fumaric acid; nitric acid; 3-(2-quinolylamino)propane-1,2-diol Formula: C16H20N4O12 MolecularWeight: 460.3496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)NCC(CO)O.C(=CC(=O)O)C(=O)O.[N+](=O)(O)[O-].[N+](=O)(O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)NCC(CO)O.C(=C/C(=O)O)\C(=O)O.[N+](=O)(O)[O-].[N+](=O)(O)[O-]

InChI

InChI=1S/C12H14N2O2.C4H4O4.2HNO3/c15-8-10(16)7-13-12-6-5-9-3-1-2-4-11(9)14-12;5-3(6)1-2-4(7)8;2*2-1(3)4/h1-6,10,15-16H,7-8H2,(H,13,14);1-2H,(H,5,6)(H,7,8);2*(H,2,3,4)/b;2-1+;;