[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H12ClN3O4 MolecularWeight: 393.77998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC4=C(O3)C=CC(=C4)Cl)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC4=C(O3)C=CC(=C4)Cl)CC#N

InChI

InChI=1S/C20H12ClN3O4/c21-13-5-6-16-12(9-13)10-17(28-16)20(26)27-11-18-23-15-4-2-1-3-14(15)19(25)24(18)8-7-22/h1-6,9-10H,8,11H2