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

Systemtic Name: (E)-but-2-enedioic acid; (E)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)but-2-en-1-one Openeye Name: fumaric acid; (E)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)but-2-en-1-one CAS Name: (E)-2-butenedioic acid; (E)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-buten-1-one IUPAC Name: (E)-but-2-enedioic acid; (E)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)but-2-en-1-one Traditional Name: fumaric acid; (E)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)but-2-en-1-one Formula: C14H19NO5 MolecularWeight: 281.30436

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C1=CCCN(C1)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C/C=C/C(=O)C1=CCCN(C1)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H15NO.C4H4O4/c1-3-5-10(12)9-6-4-7-11(2)8-9;5-3(6)1-2-4(7)8/h3,5-6H,4,7-8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b5-3+;2-1+