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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC(=CC=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC(=CC=C3)C(F)(F)F)C(=O)O

InChI

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