5-ethanoyl-2-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethyl]-3H-indole-3-carboxylic acid

Systemtic Name: 5-ethanoyl-2-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethyl]-3H-indole-3-carboxylic acid Openeye Name: 5-acetyl-2-oxo-1-(2,2,2-trifluoroethyl)indoline-3-carboxylic acid CAS Name: 5-acetyl-2-oxo-1-(2,2,2-trifluoroethyl)-3H-indole-3-carboxylic acid IUPAC Name: 5-acetyl-2-oxo-1-(2,2,2-trifluoroethyl)-3H-indole-3-carboxylic acid Traditional Name: 5-acetyl-2-keto-1-(2,2,2-trifluoroethyl)indoline-3-carboxylic acid Formula: C13H10F3NO4 MolecularWeight: 301.21801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)N(C(=O)C2C(=O)O)CC(F)(F)F

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)N(C(=O)C2C(=O)O)CC(F)(F)F

InChI

InChI=1S/C13H10F3NO4/c1-6(18)7-2-3-9-8(4-7)10(12(20)21)11(19)17(9)5-13(14,15)16/h2-4,10H,5H2,1H3,(H,20,21)