2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-(2-chloro-6-fluoro-benzyl)-4-keto-1H-quinazoline-7-carboxylate Formula: C16H9ClFN2O3- MolecularWeight: 331.705663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-])F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-])F

InChI

InChI=1S/C16H10ClFN2O3/c17-11-2-1-3-12(18)10(11)7-14-19-13-6-8(16(22)23)4-5-9(13)15(21)20-14/h1-6H,7H2,(H,22,23)(H,19,20,21)/p-1