[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C18H11ClFN3O3 MolecularWeight: 371.749643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=C(C=CC=C3Cl)F)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=C(C=CC=C3Cl)F)CC#N

InChI

InChI=1S/C18H11ClFN3O3/c19-12-5-3-6-13(20)16(12)18(25)26-10-15-22-14-7-2-1-4-11(14)17(24)23(15)9-8-21/h1-7H,9-10H2