2-[[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]carbamoyl]benzoic acid

Systemtic Name: 2-[[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]carbamoyl]benzoic acid Openeye Name: 2-[[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]carbamoyl]benzoic acid CAS Name: 2-[oxo-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]hydrazo]methyl]benzoic acid IUPAC Name: 2-[[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]carbamoyl]benzoic acid Traditional Name: 2-[[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]carbamoyl]benzoic acid Formula: C18H11F3N6O3 MolecularWeight: 416.31355

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN3C2=NN=C3C(F)(F)F)NNC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN3C2=NN=C3C(F)(F)F)NNC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C18H11F3N6O3/c19-18(20,21)17-25-23-14-10-6-2-1-5-9(10)13(26-27(14)17)22-24-15(28)11-7-3-4-8-12(11)16(29)30/h1-8H,(H,22,26)(H,24,28)(H,29,30)