phenyl 4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylate

Systemtic Name: phenyl 4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylate Openeye Name: phenyl 4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylate CAS Name: 4-oxo-3-[3-(trifluoromethyl)phenyl]-1-phthalazinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylate Traditional Name: 4-keto-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylic acid phenyl ester Formula: C22H13F3N2O3 MolecularWeight: 410.34543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H13F3N2O3/c23-22(24,25)14-7-6-8-15(13-14)27-20(28)18-12-5-4-11-17(18)19(26-27)21(29)30-16-9-2-1-3-10-16/h1-13H