(E)-but-2-enedioic acid; [5-(dimethylaminomethyl)-1,2,4-oxadiazol-3-yl]-(4-fluorophenyl)methanone

Systemtic Name: (E)-but-2-enedioic acid; [5-(dimethylaminomethyl)-1,2,4-oxadiazol-3-yl]-(4-fluorophenyl)methanone Openeye Name: [5-(dimethylaminomethyl)-1,2,4-oxadiazol-3-yl]-(4-fluorophenyl)methanone; fumaric acid CAS Name: (E)-2-butenedioic acid; [5-(dimethylaminomethyl)-1,2,4-oxadiazol-3-yl]-(4-fluorophenyl)methanone IUPAC Name: (E)-but-2-enedioic acid; [5-(dimethylaminomethyl)-1,2,4-oxadiazol-3-yl]-(4-fluorophenyl)methanone Traditional Name: [5-(dimethylaminomethyl)-1,2,4-oxadiazol-3-yl]-(4-fluorophenyl)methanone; fumaric acid Formula: C16H16FN3O6 MolecularWeight: 365.313143

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=NC(=NO1)C(=O)C2=CC=C(C=C2)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CC1=NC(=NO1)C(=O)C2=CC=C(C=C2)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H12FN3O2.C4H4O4/c1-16(2)7-10-14-12(15-18-10)11(17)8-3-5-9(13)6-4-8;5-3(6)1-2-4(7)8/h3-6H,7H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+