(E)-but-2-enedioic acid; 2-[(2-methylimidazol-1-yl)methyl]pyridine

Systemtic Name: (E)-but-2-enedioic acid; 2-[(2-methylimidazol-1-yl)methyl]pyridine Openeye Name: fumaric acid; 2-[(2-methylimidazol-1-yl)methyl]pyridine CAS Name: (E)-2-butenedioic acid; 2-[(2-methyl-1-imidazolyl)methyl]pyridine IUPAC Name: (E)-but-2-enedioic acid; 2-[(2-methylimidazol-1-yl)methyl]pyridine Traditional Name: fumaric acid; 2-[(2-methylimidazol-1-yl)methyl]pyridine Formula: C14H15N3O4 MolecularWeight: 289.2866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC2=CC=CC=N2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC=CN1CC2=CC=CC=N2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H11N3.C4H4O4/c1-9-11-6-7-13(9)8-10-4-2-3-5-12-10;5-3(6)1-2-4(7)8/h2-7H,8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+