5-oxidanylidene-4-[3-(trifluoromethyl)phenyl]-3H-phthalazin-2-ium-2-carboxylic acid

Systemtic Name: 5-oxidanylidene-4-[3-(trifluoromethyl)phenyl]-3H-phthalazin-2-ium-2-carboxylic acid Openeye Name: 5-oxo-4-[3-(trifluoromethyl)phenyl]-3H-phthalazin-2-ium-2-carboxylic acid CAS Name: 5-oxo-4-[3-(trifluoromethyl)phenyl]-3H-phthalazin-2-ium-2-carboxylic acid IUPAC Name: 5-oxo-4-[3-(trifluoromethyl)phenyl]-3H-phthalazin-2-ium-2-carboxylic acid Traditional Name: 5-keto-4-[3-(trifluoromethyl)phenyl]-3H-phthalazin-2-ium-2-carboxylic acid Formula: C16H10F3N2O3+ MolecularWeight: 335.25741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C2=C3C(=O)C=CC=C3C=[N+](N2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=C3C(=O)C=CC=C3C=[N+](N2)C(=O)O

InChI

InChI=1S/C16H9F3N2O3/c17-16(18,19)11-5-1-3-9(7-11)14-13-10(4-2-6-12(13)22)8-21(20-14)15(23)24/h1-8H,(H-,20,22,23,24)/p+1