(E)-but-2-enedioic acid; 1-pyridin-3-yl-1,5-diazocane

Systemtic Name: (E)-but-2-enedioic acid; 1-pyridin-3-yl-1,5-diazocane Openeye Name: fumaric acid; 1-(3-pyridyl)-1,5-diazocane CAS Name: (E)-2-butenedioic acid; 1-(3-pyridinyl)-1,5-diazocane IUPAC Name: (E)-but-2-enedioic acid; 1-pyridin-3-yl-1,5-diazocane Traditional Name: fumaric acid; 1-(3-pyridyl)-1,5-diazocane Formula: C15H21N3O4 MolecularWeight: 307.34494

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCCN(C1)C2=CN=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CNCCCN(C1)C2=CN=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H17N3.C4H4O4/c1-4-11(10-13-5-1)14-8-2-6-12-7-3-9-14;5-3(6)1-2-4(7)8/h1,4-5,10,12H,2-3,6-9H2;1-2H,(H,5,6)(H,7,8)/b;2-1+