(E)-but-2-enedioic acid; 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-yn-1-one

Systemtic Name: (E)-but-2-enedioic acid; 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-yn-1-one Openeye Name: fumaric acid; 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-yn-1-one CAS Name: (E)-2-butenedioic acid; 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-propyn-1-one IUPAC Name: (E)-but-2-enedioic acid; 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-yn-1-one Traditional Name: fumaric acid; 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-yn-1-one Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC=C(C1)C(=O)C#C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC=C(C1)C(=O)C#C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H11NO.C4H4O4/c1-3-9(11)8-5-4-6-10(2)7-8;5-3(6)1-2-4(7)8/h1,5H,4,6-7H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+