(E)-but-2-enedioic acid; 3-[4-(2-methylimidazol-1-yl)but-2-ynoxy]-1,2-oxazole

Systemtic Name: (E)-but-2-enedioic acid; 3-[4-(2-methylimidazol-1-yl)but-2-ynoxy]-1,2-oxazole Openeye Name: fumaric acid; 3-[4-(2-methylimidazol-1-yl)but-2-ynoxy]isoxazole CAS Name: (E)-2-butenedioic acid; 3-[4-(2-methyl-1-imidazolyl)but-2-ynoxy]isoxazole IUPAC Name: (E)-but-2-enedioic acid; 3-[4-(2-methylimidazol-1-yl)but-2-ynoxy]-1,2-oxazole Traditional Name: fumaric acid; 3-[4-(2-methylimidazol-1-yl)but-2-ynoxy]isoxazole Formula: C15H15N3O6 MolecularWeight: 333.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC#CCOC2=NOC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC=CN1CC#CCOC2=NOC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H11N3O2.C4H4O4/c1-10-12-5-7-14(10)6-2-3-8-15-11-4-9-16-13-11;5-3(6)1-2-4(7)8/h4-5,7,9H,6,8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+