4-[2,5-bis(fluoranyl)phenyl]-1-methyl-piperidine-4-carbonitrile; (E)-but-2-enedioic acid

Systemtic Name: 4-[2,5-bis(fluoranyl)phenyl]-1-methyl-piperidine-4-carbonitrile; (E)-but-2-enedioic acid Openeye Name: 4-(2,5-difluorophenyl)-1-methyl-piperidine-4-carbonitrile; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(2,5-difluorophenyl)-1-methyl-4-piperidinecarbonitrile IUPAC Name: (E)-but-2-enedioic acid; 4-(2,5-difluorophenyl)-1-methylpiperidine-4-carbonitrile Traditional Name: 4-(2,5-difluorophenyl)-1-methyl-isonipecotonitrile; fumaric acid Formula: C17H18F2N2O4 MolecularWeight: 352.332626

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C#N)C2=C(C=CC(=C2)F)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(CC1)(C#N)C2=C(C=CC(=C2)F)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H14F2N2.C4H4O4/c1-17-6-4-13(9-16,5-7-17)11-8-10(14)2-3-12(11)15;5-3(6)1-2-4(7)8/h2-3,8H,4-7H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+