[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2,4-bis(fluoranyl)benzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2,4-bis(fluoranyl)benzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2,4-difluorobenzoate CAS Name: 2,4-difluorobenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2,4-difluorobenzoate Traditional Name: 2,4-difluorobenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C18H11F2N3O3 MolecularWeight: 355.295046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=C(C=C(C=C3)F)F)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=C(C=C(C=C3)F)F)CC#N

InChI

InChI=1S/C18H11F2N3O3/c19-11-5-6-12(14(20)9-11)18(25)26-10-16-22-15-4-2-1-3-13(15)17(24)23(16)8-7-21/h1-6,9H,8,10H2