5-[2-acetamido-1,1,2-tris(fluoranyl)ethyl]-7-methoxy-3-oxidanyl-2-oxidanylidene-1H-indole-3-carboxylic acid

Systemtic Name: 5-[2-acetamido-1,1,2-tris(fluoranyl)ethyl]-7-methoxy-3-oxidanyl-2-oxidanylidene-1H-indole-3-carboxylic acid Openeye Name: 5-(2-acetamido-1,1,2-trifluoro-ethyl)-3-hydroxy-7-methoxy-2-oxo-indoline-3-carboxylic acid CAS Name: 5-(2-acetamido-1,1,2-trifluoroethyl)-3-hydroxy-7-methoxy-2-oxo-1H-indole-3-carboxylic acid IUPAC Name: 5-(2-acetamido-1,1,2-trifluoroethyl)-3-hydroxy-7-methoxy-2-oxo-1H-indole-3-carboxylic acid Traditional Name: 5-(2-acetamido-1,1,2-trifluoro-ethyl)-3-hydroxy-2-keto-7-methoxy-indoline-3-carboxylic acid Formula: C14H13F3N2O6 MolecularWeight: 362.25803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(C1=CC(=C2C(=C1)C(C(=O)N2)(C(=O)O)O)OC)(F)F)F

Isomeric SMILES

CC(=O)NC(C(C1=CC(=C2C(=C1)C(C(=O)N2)(C(=O)O)O)OC)(F)F)F

InChI

InChI=1S/C14H13F3N2O6/c1-5(20)18-10(15)14(16,17)6-3-7-9(8(4-6)25-2)19-11(21)13(7,24)12(22)23/h3-4,10,24H,1-2H3,(H,18,20)(H,19,21)(H,22,23)