(E)-but-2-enedioic acid; 5-(1H-imidazol-5-yl)pentan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 5-(1H-imidazol-5-yl)pentan-1-amine Openeye Name: fumaric acid; 5-(1H-imidazol-5-yl)pentan-1-amine CAS Name: (E)-2-butenedioic acid; 5-(1H-imidazol-5-yl)-1-pentanamine IUPAC Name: (E)-but-2-enedioic acid; 5-(1H-imidazol-5-yl)pentan-1-amine Traditional Name: fumaric acid; 5-(1H-imidazol-5-yl)pentylamine Formula: C12H19N3O4 MolecularWeight: 269.29696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CCCCCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=C(NC=N1)CCCCCN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H15N3.C4H4O4/c9-5-3-1-2-4-8-6-10-7-11-8;5-3(6)1-2-4(7)8/h6-7H,1-5,9H2,(H,10,11);1-2H,(H,5,6)(H,7,8)/b;2-1+