methyl 4-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]benzoate

Systemtic Name: methyl 4-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]benzoate Openeye Name: methyl 4-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate CAS Name: 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate Traditional Name: 4-[3-(3-chloro-4-fluoro-phenyl)-4-keto-1,2-dihydroquinazolin-2-yl]benzoic acid methyl ester Formula: C22H16ClFN2O3 MolecularWeight: 410.825443

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H16ClFN2O3/c1-29-22(28)14-8-6-13(7-9-14)20-25-19-5-3-2-4-16(19)21(27)26(20)15-10-11-18(24)17(23)12-15/h2-12,20,25H,1H3