3-azanyl-3-pyridin-3-yl-propanoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-azanyl-3-pyridin-3-yl-propanoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-amino-3-(3-pyridyl)propanoate; 2,2,2-trifluoroacetic acid CAS Name: 3-amino-3-(3-pyridinyl)propanoate; 2,2,2-trifluoroacetic acid IUPAC Name: 3-amino-3-pyridin-3-ylpropanoate; 2,2,2-trifluoroacetic acid Traditional Name: 3-amino-3-(3-pyridyl)propionate; 2,2,2-trifluoroacetic acid Formula: C12H11F6N2O6- MolecularWeight: 393.215959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CC(=O)[O-])N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC(=CN=C1)C(CC(=O)[O-])N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C8H10N2O2.2C2HF3O2/c9-7(4-8(11)12)6-2-1-3-10-5-6;2*3-2(4,5)1(6)7/h1-3,5,7H,4,9H2,(H,11,12);2*(H,6,7)/p-1