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(E)-but-2-enedioic acid; 3-(1-methylpiperidin-4-yl)oxy-1,2-oxazole

(E)-but-2-enedioic acid; 3-(1-methylpiperidin-4-yl)oxy-1,2-oxazole

Systemtic Name:(E)-but-2-enedioic acid; 3-(1-methylpiperidin-4-yl)oxy-1,2-oxazole
Openeye Name:fumaric acid; 3-[(1-methyl-4-piperidyl)oxy]isoxazole
CAS Name:(E)-2-butenedioic acid; 3-[(1-methyl-4-piperidinyl)oxy]isoxazole
IUPAC Name:(E)-but-2-enedioic acid; 3-(1-methylpiperidin-4-yl)oxy-1,2-oxazole
Traditional Name:fumaric acid; 3-[(1-methyl-4-piperidyl)oxy]isoxazole
Formula: C13H18N2O6
MolecularWeight: 298.29182
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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)OC2=NOC=C2.C(=CC(=O)O)C(=O)O


Isomeric SMILES

CN1CCC(CC1)OC2=NOC=C2.C(=C/C(=O)O)\C(=O)O


InChI

InChI=1S/C9H14N2O2.C4H4O4/c1-11-5-2-8(3-6-11)13-9-4-7-12-10-9;5-3(6)1-2-4(7)8/h4,7-8H,2-3,5-6H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+


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