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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H11F3N2O3/c1-25-16(24)14-12-7-2-3-8-13(12)15(23)22(21-14)11-6-4-5-10(9-11)17(18,19)20/h2-9H,1H3