3-bromanyl-5-(1H-imidazol-5-ylmethyl)pyridine; (E)-but-2-enedioic acid

Systemtic Name: 3-bromanyl-5-(1H-imidazol-5-ylmethyl)pyridine; (E)-but-2-enedioic acid Openeye Name: 3-bromo-5-(1H-imidazol-5-ylmethyl)pyridine; fumaric acid CAS Name: 3-bromo-5-(1H-imidazol-5-ylmethyl)pyridine; (E)-2-butenedioic acid IUPAC Name: 3-bromo-5-(1H-imidazol-5-ylmethyl)pyridine; (E)-but-2-enedioic acid Traditional Name: 3-bromo-5-(1H-imidazol-5-ylmethyl)pyridine; fumaric acid Formula: C13H12BrN3O4 MolecularWeight: 354.15608

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC=C1Br)CC2=CN=CN2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=C(C=NC=C1Br)CC2=CN=CN2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H8BrN3.C4H4O4/c10-8-1-7(3-11-4-8)2-9-5-12-6-13-9;5-3(6)1-2-4(7)8/h1,3-6H,2H2,(H,12,13);1-2H,(H,5,6)(H,7,8)/b;2-1+