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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-methanoylbenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-formylbenzoate CAS Name: 4-formylbenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-formylbenzoate Traditional Name: 4-formylbenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C19H13N3O4 MolecularWeight: 347.32422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13N3O4/c20-9-10-22-17(21-16-4-2-1-3-15(16)18(22)24)12-26-19(25)14-7-5-13(11-23)6-8-14/h1-8,11H,10,12H2