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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 1-benzofuran-2-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H13N3O4 MolecularWeight: 359.33492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C20H13N3O4/c21-9-10-23-18(22-15-7-3-2-6-14(15)19(23)24)12-26-20(25)17-11-13-5-1-4-8-16(13)27-17/h1-8,11H,10,12H2