(E)-but-2-enedioic acid; (1'S,4'R,5R)-3-pyridin-2-ylspiro[4H-1,2-oxazole-5,3'-7-azabicyclo[2.2.1]heptane]

Systemtic Name: (E)-but-2-enedioic acid; (1'S,4'R,5R)-3-pyridin-2-ylspiro[4H-1,2-oxazole-5,3'-7-azabicyclo[2.2.1]heptane] Openeye Name: fumaric acid; (1'S,4'R,5R)-3-(2-pyridyl)spiro[4H-isoxazole-5,3'-7-azabicyclo[2.2.1]heptane] CAS Name: (E)-2-butenedioic acid; (1'S,4'R,5R)-3-(2-pyridinyl)spiro[4H-isoxazole-5,3'-7-azabicyclo[2.2.1]heptane] IUPAC Name: (E)-but-2-enedioic acid; (1'S,4'R,5R)-3-pyridin-2-ylspiro[4H-1,2-oxazole-5,3'-7-azabicyclo[2.2.1]heptane] Traditional Name: fumaric acid; (1'S,4'R,5R)-3-(2-pyridyl)spiro[2-isoxazoline-5,3'-7-azabicyclo[2.2.1]heptane] Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C3(CC1N2)CC(=NO3)C4=CC=CC=N4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C[C@@H]2[C@@]3(C[C@H]1N2)CC(=NO3)C4=CC=CC=N4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H15N3O.C4H4O4/c1-2-6-14-10(3-1)11-8-13(17-16-11)7-9-4-5-12(13)15-9;5-3(6)1-2-4(7)8/h1-3,6,9,12,15H,4-5,7-8H2;1-2H,(H,5,6)(H,7,8)/b;2-1+/t9-,12+,13+;/m0./s1