4-oxidanylidene-3-[[2-(trifluoromethyl)phenyl]methyl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[[2-(trifluoromethyl)phenyl]methyl]phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[[2-(trifluoromethyl)phenyl]methyl]phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[[2-(trifluoromethyl)phenyl]methyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[[2-(trifluoromethyl)phenyl]methyl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-(trifluoromethyl)benzyl]phthalazine-1-carboxylic acid Formula: C17H11F3N2O3 MolecularWeight: 348.27605

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C17H11F3N2O3/c18-17(19,20)13-8-4-1-5-10(13)9-22-15(23)12-7-3-2-6-11(12)14(21-22)16(24)25/h1-8H,9H2,(H,24,25)