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

Systemtic Name: (E)-but-2-enedioic acid; N-(2-diethylaminoethyl)-2-oxidanidyl-4-pyridin-2-yl-1,2,5-oxadiazol-2-ium-3-carboxamide Openeye Name: N-(2-diethylaminoethyl)-2-oxido-4-(2-pyridyl)-1,2,5-oxadiazol-2-ium-3-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(2-diethylaminoethyl)-2-oxido-4-(2-pyridinyl)-1,2,5-oxadiazol-2-ium-3-carboxamide IUPAC Name: (E)-but-2-enedioic acid; N-(2-diethylaminoethyl)-2-oxido-4-pyridin-2-yl-1,2,5-oxadiazol-2-ium-3-carboxamide Traditional Name: N-(2-diethylaminoethyl)-2-oxido-4-(2-pyridyl)furazan-2-ium-3-carboxamide; fumaric acid Formula: C18H23N5O7 MolecularWeight: 421.40452

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=[N+](ON=C1C2=CC=CC=N2)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)CCNC(=O)C1=[N+](ON=C1C2=CC=CC=N2)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H19N5O3.C4H4O4/c1-3-18(4-2)10-9-16-14(20)13-12(17-22-19(13)21)11-7-5-6-8-15-11;5-3(6)1-2-4(7)8/h5-8H,3-4,9-10H2,1-2H3,(H,16,20);1-2H,(H,5,6)(H,7,8)/b;2-1+