methyl 2-[2-(chloromethyl)-4-oxidanylidene-6-(trifluoromethyl)quinazolin-3-yl]benzoate

Systemtic Name: methyl 2-[2-(chloromethyl)-4-oxidanylidene-6-(trifluoromethyl)quinazolin-3-yl]benzoate Openeye Name: methyl 2-[2-(chloromethyl)-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]benzoate CAS Name: 2-[2-(chloromethyl)-4-oxo-6-(trifluoromethyl)-3-quinazolinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(chloromethyl)-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]benzoate Traditional Name: 2-[2-(chloromethyl)-4-keto-6-(trifluoromethyl)quinazolin-3-yl]benzoic acid methyl ester Formula: C18H12ClF3N2O3 MolecularWeight: 396.74769

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)C(F)(F)F)CCl

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)C(F)(F)F)CCl

InChI

InChI=1S/C18H12ClF3N2O3/c1-27-17(26)11-4-2-3-5-14(11)24-15(9-19)23-13-7-6-10(18(20,21)22)8-12(13)16(24)25/h2-8H,9H2,1H3