methyl 3-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-[(2-chloro-4-fluoro-phenyl)methyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2-chloro-4-fluorophenyl)methyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-chloro-4-fluorophenyl)methyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(2-chloro-4-fluoro-benzyl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C17H12ClFN2O3 MolecularWeight: 346.740183

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C=N2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C=N2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C17H12ClFN2O3/c1-24-17(23)10-3-5-13-15(6-10)20-9-21(16(13)22)8-11-2-4-12(19)7-14(11)18/h2-7,9H,8H2,1H3