[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-cyanobenzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-cyanobenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C19H12N4O3 MolecularWeight: 344.32358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC=CC(=C3)C#N)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC=CC(=C3)C#N)CC#N

InChI

InChI=1S/C19H12N4O3/c20-8-9-23-17(22-16-7-2-1-6-15(16)18(23)24)12-26-19(25)14-5-3-4-13(10-14)11-21/h1-7,10H,9,12H2