(E)-but-2-enedioic acid; 3-[(4-fluorophenyl)methyl]pyridine-2,6-diamine

Systemtic Name: (E)-but-2-enedioic acid; 3-[(4-fluorophenyl)methyl]pyridine-2,6-diamine Openeye Name: 3-[(4-fluorophenyl)methyl]pyridine-2,6-diamine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-[(4-fluorophenyl)methyl]pyridine-2,6-diamine IUPAC Name: (E)-but-2-enedioic acid; 3-[(4-fluorophenyl)methyl]pyridine-2,6-diamine Traditional Name: [6-amino-3-(4-fluorobenzyl)-2-pyridyl]amine; fumaric acid Formula: C16H16FN3O4 MolecularWeight: 333.314343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(N=C(C=C2)N)N)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=C(N=C(C=C2)N)N)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H12FN3.C4H4O4/c13-10-4-1-8(2-5-10)7-9-3-6-11(14)16-12(9)15;5-3(6)1-2-4(7)8/h1-6H,7H2,(H4,14,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1+