(E)-but-2-enedioic acid; N-(3-imidazol-1-ylpropyl)-2-oxidanidyl-4-pyridin-4-yl-1,2,5-oxadiazol-2-ium-3-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; N-(3-imidazol-1-ylpropyl)-2-oxidanidyl-4-pyridin-4-yl-1,2,5-oxadiazol-2-ium-3-carboxamide Openeye Name: fumaric acid; N-(3-imidazol-1-ylpropyl)-2-oxido-4-(4-pyridyl)-1,2,5-oxadiazol-2-ium-3-carboxamide CAS Name: (E)-2-butenedioic acid; N-[3-(1-imidazolyl)propyl]-2-oxido-4-pyridin-4-yl-1,2,5-oxadiazol-2-ium-3-carboxamide IUPAC Name: (E)-but-2-enedioic acid; N-(3-imidazol-1-ylpropyl)-2-oxido-4-pyridin-4-yl-1,2,5-oxadiazol-2-ium-3-carboxamide Traditional Name: fumaric acid; N-(3-imidazol-1-ylpropyl)-2-oxido-4-(4-pyridyl)furazan-2-ium-3-carboxamide Formula: C18H18N6O7 MolecularWeight: 430.37152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=NO[N+](=C2C(=O)NCCCN3C=CN=C3)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CN=CC=C1C2=NO[N+](=C2C(=O)NCCCN3C=CN=C3)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H14N6O3.C4H4O4/c21-14(17-4-1-8-19-9-7-16-10-19)13-12(18-23-20(13)22)11-2-5-15-6-3-11;5-3(6)1-2-4(7)8/h2-3,5-7,9-10H,1,4,8H2,(H,17,21);1-2H,(H,5,6)(H,7,8)/b;2-1+