(E)-but-2-enedioic acid; 1-(5-fluoranyl-8H-indeno[2,1-c]pyrazol-3-yl)propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-(5-fluoranyl-8H-indeno[2,1-c]pyrazol-3-yl)propan-2-amine Openeye Name: 1-(5-fluoro-8H-indeno[2,1-c]pyrazol-3-yl)propan-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(5-fluoro-8H-indeno[2,1-c]pyrazol-3-yl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 1-(5-fluoro-8H-indeno[2,1-c]pyrazol-3-yl)propan-2-amine Traditional Name: [2-(5-fluoro-8H-indeno[2,1-c]pyrazol-3-yl)-1-methyl-ethyl]amine; fumaric acid Formula: C17H18FN3O4 MolecularWeight: 347.340923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=CC3=C(C=CCC3=C2C=N1)F)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CN1C2=CC3=C(C=CCC3=C2C=N1)F)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H14FN3.C4H4O4/c1-8(15)7-17-13-5-10-9(11(13)6-16-17)3-2-4-12(10)14;5-3(6)1-2-4(7)8/h2,4-6,8H,3,7,15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+