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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl benzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl benzoate CAS Name: benzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl benzoate Traditional Name: benzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C18H13N3O3 MolecularWeight: 319.31412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C18H13N3O3/c19-10-11-21-16(12-24-18(23)13-6-2-1-3-7-13)20-15-9-5-4-8-14(15)17(21)22/h1-9H,11-12H2