(E)-but-2-enedioic acid; 2-pyridin-3-yl-3-azabicyclo[2.2.2]oct-5-ene

Systemtic Name: (E)-but-2-enedioic acid; 2-pyridin-3-yl-3-azabicyclo[2.2.2]oct-5-ene Openeye Name: fumaric acid; 2-(3-pyridyl)-3-azabicyclo[2.2.2]oct-5-ene CAS Name: (E)-2-butenedioic acid; 2-(3-pyridinyl)-3-azabicyclo[2.2.2]oct-5-ene IUPAC Name: (E)-but-2-enedioic acid; 2-pyridin-3-yl-3-azabicyclo[2.2.2]oct-5-ene Traditional Name: fumaric acid; 2-(3-pyridyl)-3-azabicyclo[2.2.2]oct-5-ene Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C=CC1C(N2)C3=CN=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC2C=CC1C(N2)C3=CN=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H14N2.C4H4O4/c1-2-10(8-13-7-1)12-9-3-5-11(14-12)6-4-9;5-3(6)1-2-4(7)8/h1-3,5,7-9,11-12,14H,4,6H2;1-2H,(H,5,6)(H,7,8)/b;2-1+