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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC3=CC(=CC=C3)C(F)(F)F

InChI

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