(E)-but-2-enedioic acid; 2-[4-(2-methylimidazol-1-yl)but-2-ynyl]-1,2-oxazolidin-3-one

Systemtic Name: (E)-but-2-enedioic acid; 2-[4-(2-methylimidazol-1-yl)but-2-ynyl]-1,2-oxazolidin-3-one Openeye Name: fumaric acid; 2-[4-(2-methylimidazol-1-yl)but-2-ynyl]isoxazolidin-3-one CAS Name: (E)-2-butenedioic acid; 2-[4-(2-methyl-1-imidazolyl)but-2-ynyl]-3-isoxazolidinone IUPAC Name: (E)-but-2-enedioic acid; 2-[4-(2-methylimidazol-1-yl)but-2-ynyl]-1,2-oxazolidin-3-one Traditional Name: fumaric acid; 2-[4-(2-methylimidazol-1-yl)but-2-ynyl]isoxazolidin-3-one Formula: C15H17N3O6 MolecularWeight: 335.31198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC#CCN2C(=O)CCO2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC=CN1CC#CCN2C(=O)CCO2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H13N3O2.C4H4O4/c1-10-12-5-8-13(10)6-2-3-7-14-11(15)4-9-16-14;5-3(6)1-2-4(7)8/h5,8H,4,6-7,9H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+