methyl 4-[(E)-[4-oxidanylidene-2-(trifluoromethyl)quinazolin-3-yl]iminomethyl]benzoate

Systemtic Name: methyl 4-[(E)-[4-oxidanylidene-2-(trifluoromethyl)quinazolin-3-yl]iminomethyl]benzoate Openeye Name: methyl 4-[(E)-[4-oxo-2-(trifluoromethyl)quinazolin-3-yl]iminomethyl]benzoate CAS Name: 4-[(E)-[4-oxo-2-(trifluoromethyl)-3-quinazolinyl]iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[4-oxo-2-(trifluoromethyl)quinazolin-3-yl]iminomethyl]benzoate Traditional Name: 4-[(E)-[4-keto-2-(trifluoromethyl)quinazolin-3-yl]iminomethyl]benzoic acid methyl ester Formula: C18H12F3N3O3 MolecularWeight: 375.30139

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NN2C(=O)C3=CC=CC=C3N=C2C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N/N2C(=O)C3=CC=CC=C3N=C2C(F)(F)F

InChI

InChI=1S/C18H12F3N3O3/c1-27-16(26)12-8-6-11(7-9-12)10-22-24-15(25)13-4-2-3-5-14(13)23-17(24)18(19,20)21/h2-10H,1H3/b22-10+