3-[[2-methyl-3-oxidanylidene-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[2-methyl-3-oxidanylidene-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzoic acid Openeye Name: 3-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzoic acid CAS Name: 3-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]-4-pyridazinyl]amino]benzoic acid IUPAC Name: 3-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzoic acid Traditional Name: 3-[[3-keto-2-methyl-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzoic acid Formula: C19H14F3N3O4 MolecularWeight: 405.32737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C=N1)OC2=CC=CC(=C2)C(F)(F)F)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CN1C(=O)C(=C(C=N1)OC2=CC=CC(=C2)C(F)(F)F)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H14F3N3O4/c1-25-17(26)16(24-13-6-2-4-11(8-13)18(27)28)15(10-23-25)29-14-7-3-5-12(9-14)19(20,21)22/h2-10,24H,1H3,(H,27,28)