methyl 1-phenylazanylindole-3-carboxylate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: methyl 1-phenylazanylindole-3-carboxylate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: methyl 1-anilinoindole-3-carboxylate; 2,2,2-trifluoroacetic acid CAS Name: 1-anilino-3-indolecarboxylic acid methyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: methyl 1-anilinoindole-3-carboxylate; 2,2,2-trifluoroacetic acid Traditional Name: 1-anilinoindole-3-carboxylic acid methyl ester; 2,2,2-trifluoroacetic acid Formula: C18H15F3N2O4 MolecularWeight: 380.31791

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)NC3=CC=CC=C3.C(=O)(C(F)(F)F)O

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)NC3=CC=CC=C3.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C16H14N2O2.C2HF3O2/c1-20-16(19)14-11-18(15-10-6-5-9-13(14)15)17-12-7-3-2-4-8-12;3-2(4,5)1(6)7/h2-11,17H,1H3;(H,6,7)